3-aminopyridine-2-carboxamide

• ChemBase ID: 270662
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: c1(C(=O)N)ncccc1N
• Canonical SMILES: NC(=O)c1ncccc1N
• InChI: InChI=1S/C6H7N3O/c7-4-2-1-3-9-5(4)6(8)10/h1-3H,7H2,(H2,8,10)
• InChIKey: KAAUMYRJIPPSNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopyridine-2-carboxamide
• IUPAC Traditional name: 3-aminopyridine-2-carboxamide
• Synonyms: 3-aminopyridine-2-carboxamide; 3-Aminopicolinamide; 3-Amino-pyridine-2-carboxylic acid amide

Database IDs

• CAS Number: 50608-99-6
• MDL Number: MFCD06658329
• PubChem SID: 164326572
• PubChem CID: 13238725

CALCULATED PROPERTIES

• Acid pKa: 14.583966
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.18691204
• LogD (pH = 7.4): -0.18686256
• Log P: -0.18686195
• Molar Refractivity: 37.3079 cm^3
• Polarizability: 13.443341 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): 0.112

Product Information

• Purity: 95%; 95+%; 97%