5-Aminonicotinic acid - ≥98% , CAS No.24242-19-1

CAS: 24242-19-1 Cat. No.: A128112 Molecular Weight: 138.12 Beilstein Registry Number: 115848 EC Number: 625-282-8

GRADE & PURITY ≥98%

Synonyms

MLS001049162 | Z1095353978 | rel-(+)-(1R,2R)-1,2-Cyclohexanedicarboxylic acid | 5-Aminopyridine-3-carboxylic acid, 97% | STK802560 | 5-amino nicotinic acid | Oprea1_455519 | CHEBI:68578 | PB13029 | 5-ammoniopyridine-3-carboxylate | GEO-00183 | SCHEMBL1859

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MLS001049162 | Z1095353978 | rel-(+)-(1R, 2R)-1, 2-Cyclohexanedicarboxylic acid | 5-Aminopyridine-3-carboxylic acid, 97% | STK802560 | 5-amino nicotinic acid | Oprea1_455519 | CHEBI:68578 | PB13029 | 5-ammoniopyridine-3-carboxylate | GEO-00183 | SCHEMBL1859

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189627
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189627
• Canonical Smiles: C1=C(C=NC=C1N)C(=O)O
• IUPAC Name: 5-aminopyridine-3-carboxylic acid
• InChIKey: BYIORJAACCWFPU-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)
• Isomeric SMILES: C1=C(C=NC=C1N)C(=O)O
• WGK Germany: 3
• Molecular Weight: 138.12
• Beilstein: 115848
• Reaxy-Rn: 115848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115848&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Aminopyridines and derivatives Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Aminopyridine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: 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: aromatic amine - aminonicotinic acid - aminopyridine

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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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HeLa (62764 Activities)

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SRR Tbio Serine racemase (249 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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DAO Tchem D-amino-acid oxidase (802 Activities)

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DDO Tchem D-aspartate oxidase (120 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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GMNN Tbio Geminin (128009 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Melt Point(°C): 293°C
• Molecular Weight: 138.120 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.043 Da
• Monoisotopic Mass: 138.043 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 138.000
• 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

References

1. Peng Qiu, Zhaorui Song.  (2023)  Determination of Nicotinic Acid in Food and Pharmaceuticals by a Simple and Rapid Fluorescence Polarization Immunoassay (FPIA).  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2023.2173220]

2. Rufeng Wang, Jian Ni, Jiayi Guan, Shuai Zhang, Miao Yan, Sen Li, Yaofang Zhang, Juan Li, Hongkun Cai, Jianjun Zhang.  (2024)  Tailoring Surface Chemistry of CsPbI3 Perovskite Quantum Dots Using Multifunctional Ligand Enables Efficient and Stable Solar Cells.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c05956]