2-methylpyridine-3-carboxamide

• ChemBase ID: 69177
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: C(=O)(c1cccnc1C)N
• Canonical SMILES: NC(=O)c1cccnc1C
• InChI: InChI=1S/C7H8N2O/c1-5-6(7(8)10)3-2-4-9-5/h2-4H,1H3,(H2,8,10)
• InChIKey: JRYYVMDEUJQWRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyridine-3-carboxamide
• IUPAC Traditional name: 2-methylpyridine-3-carboxamide
• Synonyms: 2-Methylnicotinamide

Database IDs

• CAS Number: 58539-65-4
• MDL Number: MFCD09909457
• PubChem SID: 162034906
• PubChem CID: 12243705

CALCULATED PROPERTIES

• Acid pKa: 13.790414
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.30934408
• LogD (pH = 7.4): -0.26304203
• Log P: -0.26241615
• Molar Refractivity: 37.571 cm^3
• Polarizability: 14.037971 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%