2-Aminonicotinic acid - ≥98% , CAS No.5345-47-1

CAS: 5345-47-1 Cat. No.: A107211 Molecular Weight: 138.12 Beilstein Registry Number: 119031 EC Number: 226-296-3

GRADE & PURITY ≥98%

Synonyms

2-Amino-3-pyridinecarboxylic acid | F2191-0192 | STK701078 | 2-Amino-3-carboxypyridine | NSC 3049 | FT-0611255 | Iminodibenyl | Propyl phenyl ketone | RP-3854 | Tserenox | 2-Amino-3-pyridinecarboyxlic acid | EINECS 226-296-3 | AC-2436 | BBL001472 | EN300-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Amino-3-pyridinecarboxylic acid | F2191-0192 | STK701078 | 2-Amino-3-carboxypyridine | NSC 3049 | FT-0611255 | Iminodibenyl | Propyl phenyl ketone | RP-3854 | Tserenox | 2-Amino-3-pyridinecarboyxlic acid | EINECS 226-296-3 | AC-2436 | BBL001472 | EN300-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184744
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184744
• Canonical Smiles: C1=CC(=C(N=C1)N)C(=O)O
• IUPAC Name: 2-aminopyridine-3-carboxylic acid
• InChIKey: KPIVDNYJNOPGBE-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)
• Isomeric SMILES: C1=CC(=C(N=C1)N)C(=O)O
• WGK Germany: 3
• Molecular Weight: 138.12
• Beilstein: 119031
• Reaxy-Rn: 119031
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119031&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 Imidolactams Vinylogous amides 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 - Imidolactam - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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: 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)

NAPRT Tchem Nicotinate phosphoribosyltransferase (2 Activities)

Discover Target: NAPRT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

Discover Target: DAO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DDO Tchem D-aspartate oxidase (120 Activities)

Discover Target: DDO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Gabrp GABA-A receptor; anion channel (5731 Activities)

Discover Target: Gabrp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 297°C
• Molecular Weight: 138.120 g/mol
• XLogP3: 1.500
• 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. Si-Fu Tang, Xiao-Bo Pan, Xiao-Xia Lv, Xue-Bo Zhao.  (2012)  Investigation on three new metal carboxydiphosphonates: Syntheses, structures, magnetic and luminescent properties.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2012.08.052]