2-methoxypyridine-3-carboxamide

• ChemBase ID: 264878
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1(C(=O)N)c(nccc1)OC
• Canonical SMILES: COc1ncccc1C(=O)N
• InChI: InChI=1S/C7H8N2O2/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3,(H2,8,10)
• InChIKey: YNJXVWIPWJKJJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypyridine-3-carboxamide
• IUPAC Traditional name: 2-methoxypyridine-3-carboxamide
• Synonyms: 2-methoxypyridine-3-carboxamide

Database IDs

• MDL Number: MFCD08704236
• PubChem SID: 164320788
• PubChem CID: 252369

CALCULATED PROPERTIES

• Acid pKa: 12.643315
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.042932138
• LogD (pH = 7.4): 0.043001305
• Log P: 0.04299995
• Molar Refractivity: 39.7562 cm^3
• Polarizability: 14.830438 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 0.523

Product Information

• Purity: 95%