2-methoxypyridine-4-carboxamide

• ChemBase ID: 86670
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: n1c(cc(cc1)C(=O)N)OC
• Canonical SMILES: COc1nccc(c1)C(=O)N
• InChI: InChI=1S/C7H8N2O2/c1-11-6-4-5(7(8)10)2-3-9-6/h2-4H,1H3,(H2,8,10)
• InChIKey: OWHCHZOJASPGLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyridine-4-carboxamide
• IUPAC Traditional name: 2-methoxypyridine-4-carboxamide
• Synonyms: 2-Methoxyisonicotinamide

Database IDs

• CAS Number: 105612-50-8
• MDL Number: MFCD00174337
• PubChem SID: 162073786
• PubChem CID: 2746285

CALCULATED PROPERTIES

• Acid pKa: 13.3495245
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.042968817
• LogD (pH = 7.4): 0.04299999
• Log P: 0.04299995
• Molar Refractivity: 39.7562 cm^3
• Polarizability: 14.827973 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%; 98%