6-aminopyridine-2-carboxamide

• ChemBase ID: 275539
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: n1c(C(=O)N)cccc1N
• Canonical SMILES: Nc1cccc(n1)C(=O)N
• InChI: InChI=1S/C6H7N3O/c7-5-3-1-2-4(9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
• InChIKey: WUCLYUPGGZECHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridine-2-carboxamide
• IUPAC Traditional name: 6-aminopyridine-2-carboxamide
• Synonyms: 6-aminopyridine-2-carboxamide

Database IDs

• MDL Number: MFCD16619099
• PubChem SID: 164331449
• PubChem CID: 351654

CALCULATED PROPERTIES

• Acid pKa: 14.278238
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.24349116
• LogD (pH = 7.4): -0.24241813
• Log P: -0.24240442
• Molar Refractivity: 37.6214 cm^3
• Polarizability: 13.442124 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): -0.138

Product Information

• Purity: 95%