2-aminopyridine-4-carboxamide

• ChemBase ID: 16245
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: c1cnc(cc1C(=O)N)N
• Canonical SMILES: Nc1nccc(c1)C(=O)N
• InChI: InChI=1S/C6H7N3O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,7,9)(H2,8,10)
• InChIKey: AGSDASDGMNDAIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopyridine-4-carboxamide
• IUPAC Traditional name: 2-aminopyridine-4-carboxamide
• Synonyms: 2-Amino-isonicotinamide; 2-Amino-isonicotinamide

Database IDs

• CAS Number: 13538-42-6
• MDL Number: MFCD03791262
• PubChem SID: 160979552
• PubChem CID: 351653

CALCULATED PROPERTIES

• Acid pKa: 13.898751
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7721947
• LogD (pH = 7.4): -0.63042593
• Log P: -0.6282547
• Molar Refractivity: 37.9934 cm^3
• Polarizability: 13.436908 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C6H7N3O

DETAILS

Sigma Aldrich - ADE000162

Other Notes
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