2-amino-6-methoxypyridine-3-carboxylic acid

• ChemBase ID: 814232
• Molecular Formular: C7H8N2O3
• Molecular Mass: 168.15002
• Monoisotopic Mass: 168.05349213
• SMILES: OC(=O)c1ccc(nc1N)OC
• Canonical SMILES: COc1ccc(c(n1)N)C(=O)O
• InChI: InChI=1S/C7H8N2O3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H2,8,9)(H,10,11)
• InChIKey: SYDXANXSWQIFKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-methoxypyridine-3-carboxylic acid
• IUPAC Traditional name: 2-amino-6-methoxypyridine-3-carboxylic acid
• Synonyms: 2-amino-6-methoxynicotinic acid

Database IDs

• CAS Number: 1196156-84-9

CALCULATED PROPERTIES

• Acid pKa: 4.4881544
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.07745232
• LogD (pH = 7.4): -1.6602502
• Log P: 0.9745989
• Molar Refractivity: 42.9479 cm^3
• Polarizability: 15.521256 Å^3
• Polar Surface Area: 85.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%