6-methoxypyridine-3-carboxamide

• ChemBase ID: 290843
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: O=C(N)c1cnc(OC)cc1
• Canonical SMILES: COc1ccc(cn1)C(=O)N
• InChI: InChI=1S/C7H8N2O2/c1-11-6-3-2-5(4-9-6)7(8)10/h2-4H,1H3,(H2,8,10)
• InChIKey: KXDSMFBEVSJYRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridine-3-carboxamide
• IUPAC Traditional name: 6-methoxypyridine-3-carboxamide
• Synonyms: 6-Methoxynicotinamide

Database IDs

• CAS Number: 7150-23-4
• PubChem SID: 180676374
• PubChem CID: 250810

CALCULATED PROPERTIES

• Acid pKa: 13.59953
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.042966954
• LogD (pH = 7.4): 0.042999778
• Log P: 0.04299995
• Molar Refractivity: 39.7562 cm^3
• Polarizability: 14.828075 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%