6-methylpyridine-2-carboxamide

• ChemBase ID: 260084
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: n1c(C(=O)N)cccc1C
• Canonical SMILES: Cc1cccc(n1)C(=O)N
• InChI: InChI=1S/C7H8N2O/c1-5-3-2-4-6(9-5)7(8)10/h2-4H,1H3,(H2,8,10)
• InChIKey: YIQXUVPRCWNHPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 63668-37-1
• MDL Number: MFCD08062670
• PubChem SID: 164315994
• PubChem CID: 12362936

CALCULATED PROPERTIES

• Acid pKa: 14.22486
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.12332424
• LogD (pH = 7.4): 0.123432845
• Log P: 0.12343418
• Molar Refractivity: 37.199 cm^3
• Polarizability: 14.042198 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): 0.643

Product Information

• Purity: 95%