5-methoxypyridine-2-carboxamide

• ChemBase ID: 290846
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: O=C(N)c1ncc(OC)cc1
• Canonical SMILES: COc1ccc(nc1)C(=O)N
• InChI: InChI=1S/C7H8N2O2/c1-11-5-2-3-6(7(8)10)9-4-5/h2-4H,1H3,(H2,8,10)
• InChIKey: QKEBKDXTQLXCKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxypyridine-2-carboxamide
• IUPAC Traditional name: 5-methoxypyridine-2-carboxamide
• Synonyms: 5-Methoxypicolinamide

Database IDs

• CAS Number: 88166-65-8
• PubChem SID: 180676377
• PubChem CID: 20486069

CALCULATED PROPERTIES

• Acid pKa: 14.28016
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.16561332
• LogD (pH = 7.4): -0.16560729
• Log P: -0.16560726
• Molar Refractivity: 39.0707 cm^3
• Polarizability: 14.83012 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%