2-Hydroxypyridine-4-carboxylic acid - ≥98% , CAS No.22282-72-0

CAS: 22282-72-0 Cat. No.: H140139 Peso molecular: 139.11 Beilstein Registry Number: 115859 Número EC: 835-024-8

GRADE & PURITY ≥98%

Synonyms

NSC132888 | NSC-132888 | Z1416200909 | TS-01796 | 1,2-dihydro-2-oxopyridine-4-carboxylic acid, AldrichCPR | Prezista Naive | HY-W002765 | 4-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo- | AKOS000732735 | 2-Hydroxyisonicotinic acid, AldrichCPR | AM20061702 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC132888 | NSC-132888 | Z1416200909 | TS-01796 | 1, 2-dihydro-2-oxopyridine-4-carboxylic acid, AldrichCPR | Prezista Naive | HY-W002765 | 4-Pyridinecarboxylic acid, 1, 2-dihydro-2-oxo- | AKOS000732735 | 2-Hydroxyisonicotinic acid, AldrichCPR | AM20061702 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504758287
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758287
• Sonrisas canónicas: C1=CNC(=O)C=C1C(=O)O
• IUPAC Name: 2-oxo-1H-pyridine-4-carboxylic acid
• InChIKey: BXHCJLRTXPHUGH-UHFFFAOYSA-N
• INCHI: 1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)
• Isómeros SMILES: C1=CNC(=O)C=C1C(=O)O
• Peso molecular: 139.11
• Beilstein: 115859
• Reaxy-Rn: 472192
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472192&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Dihydropyridinecarboxylic acids and derivatives Pyridinones Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Pyridinone - Hydropyridine - Heteroaromatic compound - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Punto de fusión (°C): 328°C(dec.)(lit.)
• Peso molecular: 139.110 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.027 Da
• Monoisotopic Mass: 139.027 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 239.000
• 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

Referencias

1. Haipeng Jiang, Xin Qu, Li He, Zheng Lv, Dan Li, Fengyou Wang, Lin Fan, Jinghai Yang, Lili Yang, Yongsheng Yan.  (2021)  A design strategy of additive molecule for PSCs: Anchoring intrinsic properties of functional groups by suppressing long-range conjugation effect.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.131676]