Isonicotinamide - ≥99% , CAS No.1453-82-3

CAS: 1453-82-3 Cat. No.: I106833 Formula: C₆H₆N₂O Peso molecolare: 122.12 Beilstein Registry Number: 2173 Numero EC: 215-926-2

GRADE & PURITY ≥99%

Synonyms

4-(AMINOCARBONYL)PYRIDINE | A884626 | BB 0241857 | STR00561 | UNII-4H3BH6YX9Q | DTXSID3020756 | Isonicotineamide | pyridine-4-carboxamide | SCHEMBL44995 | Tox21_200230 | ISONIAZID IMPURITY B [EP IMPURITY] | Isonicotinate amide | Isonicotinic acid amide |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-(AMINOCARBONYL)PYRIDINE | A884626 | BB 0241857 | STR00561 | UNII-4H3BH6YX9Q | DTXSID3020756 | Isonicotineamide | pyridine-4-carboxamide | SCHEMBL44995 | Tox21_200230 | ISONIAZID IMPURITY B [EP IMPURITY] | Isonicotinate amide | Isonicotinic acid amide |

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488182058
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182058
• Sorrisi canonici: C1=CN=CC=C1C(=O)N
• IUPAC Name: pyridine-4-carboxamide
• InChIKey: VFQXVTODMYMSMJ-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
• Isomeri SMILES: C1=CN=CC=C1C(=O)N
• WGK Germania: 3
• RTECS: NR9500000
• Peso molecolare: 122.12
• Beilstein: 2173
• Reaxy-Rn: 2173
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxamides
• Alternative Parents: Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinecarboxamide - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
• External Descriptors: pyridinecarboxamide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in dioxane (10 mg/ml), methanol, water (191.7 mg/ml at 37 °C), ethanol, and DMSO.
• Punto di fusione (°C): 155-158°C
• Peso molecolare: 122.120 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.048 Da
• Monoisotopic Mass: 122.048 Da
• Topological Polar Surface Area: 56.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Yangyang Sun, Zhuzhu Tang, Yanjun Li, Yongkang Song, Hualei Wang, Dongzhi Wei, Shengli Yang.  (2023)  Identification and evolution of non-traditional nitrilase from Spirosoma linguale DSM 74 with high hydration activity.  BIOORGANIC CHEMISTRY,      [PMID:38185008] [10.1016/j.bioorg.2023.107055]

2. Bingqing Zhu, Mengyuan Xia, Zhenfeng Ding, Xiaoyi Rong, Xuefeng Mei.  (2023)  Enhancing physical and chemical stability of hygroscopic hydroxytyrosol by cocrystal formation.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:37793465] [10.1016/j.ijpharm.2023.123470]

3. Junling Guo, Zhongyi Cheng, Lukasz Peplowski, Zhemin Zhou.  (2023)  Highly efficient biosynthesis of isonicotinamide through a substrate access tunnel engineered nitrile hydratase from Carbonactinospora thermoautotrophicus.  NEW JOURNAL OF CHEMISTRY,  47  (28): (13279-13285).  [PMID:] [10.1039/D3NJ00331K]

4. Zhiyong Zheng, Yuehua Deng, Weining Xie, Sirui Chen, Xiaoxiao Liang, Shiyuan Liu, Yanbin Jiang, Huaiyu Yang.  (2023)  Co-Former Screening Method for Multicomponent Crystals Based on Partial Least Squares Regression: A Case Study of Ciprofloxacin.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.2c01414]

5. Chun-Yan Zhang, Wei-Yi Zhang, Guo-Ying Chen, Tong-Qing Chai, Hao Zhang, Yi Xu, Feng-Qing Yang.  (2022)  Vitamin B3 as a high acid-alkali tolerant peroxidase mimic for colorimetric detection of hydrogen peroxide and glutathione.  Arabian Journal of Chemistry,      [PMID:] [10.1016/j.arabjc.2022.103823]

6. Qiaoling Liu, Hongyu Mou, Wenjun Chen, Xinhui Zhao, Haitao Yu, Zhimin Xue, Tiancheng Mu.  (2019)  Highly Efficient Dissolution of Lignin by Eutectic Molecular Liquids.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.9b05059]

7. Zhen Li, Meiqi Li, Bo Peng, Bingqing Zhu, Jian-rong Wang, Xuefeng Mei.  (2019)  Improving Compliance and Decreasing Drug Accumulation of Diethylstilbestrol through Cocrystallization.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.8b01911]

8. Shuzhen Ren, Mingyu Liu, Chao Hong, Guowen Li, Jiabin Sun, Jianying Wang, Lei Zhang, Yan Xie.  (2018)  The effects of pH, surfactant, ion concentration, coformer, and molecular arrangement on the solubility behavior of myricetin cocrystals.  Acta Pharmaceutica Sinica B,      [PMID:30766778] [10.1016/j.apsb.2018.09.008]

9. Yanlei Kang, Jianming Gu, Xiurong Hu.  (2016)  Syntheses, structure characterization and dissolution of two novel cocrystals of febuxostat.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2016.10.044]

10. Hongli Sun, Yiwei Wu.  (2013)  Field-amplified sample injection for the determination of isonicotinamide and nicotinamide in whitening cosmetics and supplemented foodstuffs by MEKC.  Analytical Methods,  5  (20): (5615-5621).  [PMID:] [10.1039/C3AY40914G]

11. Zhanghao Wu, Yue Zhao, Changlei Wang, Tianshu Ma, Chen Chen, Yuhui Liu, Tianci Jia, Yuhang Zhai, Cong Chen, Cheng Zhang, Guogyang Cao, Zhenhai Yang, Dewei Zhao, Xiaofeng Li.  (2025)  Enhancing Photovoltaically Preferred Orientation in Wide-Bandgap Perovskite for Efficient All-Perovskite Tandem Solar Cells.  ADVANCED MATERIALS,      [PMID:39763405] [10.1002/adma.202412943]

12. Guiyu Chen, Pengpeng Yang, Mengyang Cai, Keke Zhang.  (2025)  The Confinement Crystallization Behavior of Isonicotinamide within Functionalized Pores: Correlation between Polymorph Selection and Surface Chemistry.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.5c00983]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1453-82-3, the molecular formula is C6H6N2O, and the molecular weight is 122.12 g/mol. InChIKey VFQXVTODMYMSMJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.