6-chloro-5-methoxypyridine-2-carboxylic acid

• ChemBase ID: 310077
• Molecular Formular: C7H6ClNO3
• Molecular Mass: 187.58044
• Monoisotopic Mass: 187.00362074
• SMILES: n1c(c(ccc1C(=O)O)OC)Cl
• Canonical SMILES: COc1ccc(nc1Cl)C(=O)O
• InChI: InChI=1S/C7H6ClNO3/c1-12-5-3-2-4(7(10)11)9-6(5)8/h2-3H,1H3,(H,10,11)
• InChIKey: NLIPRLLFFMVAMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-methoxypyridine-2-carboxylic acid
• IUPAC Traditional name: 6-chloro-5-methoxypyridine-2-carboxylic acid
• Synonyms: 6-chloro-5-methoxy-2-pyridinecarboxylic acid

Database IDs

• CAS Number: 112750-30-8
• MDL Number: MFCD07776983

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.31258422
• LogD (pH = 7.4): -1.831164
• Log P: 1.4655572
• Molar Refractivity: 43.1146 cm^3
• Polarizability: 16.392124 Å^3
• Polar Surface Area: 59.42 Å^2