5-aminopyridine-2-carboxamide

• ChemBase ID: 70941
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: c1(ccc(cn1)N)C(=O)N
• Canonical SMILES: Nc1ccc(nc1)C(=O)N
• InChI: InChI=1S/C6H7N3O/c7-4-1-2-5(6(8)10)9-3-4/h1-3H,7H2,(H2,8,10)
• InChIKey: CSHTYFRLFVBNHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopyridine-2-carboxamide
• IUPAC Traditional name: 5-aminopyridine-2-carboxamide
• Synonyms: 5-Aminopyridine-2-carboxamide; 5-AMinopicolinaMide

Database IDs

• CAS Number: 145255-19-2
• MDL Number: MFCD09879701
• PubChem SID: 162036649
• PubChem CID: 10464392

CALCULATED PROPERTIES

• Acid pKa: 14.934832
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.83690226
• LogD (pH = 7.4): -0.83686244
• Log P: -0.83686197
• Molar Refractivity: 37.3079 cm^3
• Polarizability: 13.44174 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -0.138

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%