2-chloro-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide

• ChemBase ID: 310894
• Molecular Formular: C14H13ClN2O3
• Molecular Mass: 292.71762
• Monoisotopic Mass: 292.06146997
• SMILES: C(=O)(c1c(nccc1)Cl)Nc1c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1NC(=O)c1cccnc1Cl
• InChI: InChI=1S/C14H13ClN2O3/c1-19-9-5-6-11(12(8-9)20-2)17-14(18)10-4-3-7-16-13(10)15/h3-8H,1-2H3,(H,17,18)
• InChIKey: FQALSYKXWIIZBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
• IUPAC Traditional name: 2-chloro-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
• Synonyms: 2-chloro-N-(2,4-dimethoxyphenyl)nicotinamide

Database IDs

• CAS Number: 158094-17-8
• MDL Number: MFCD00849820

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3563364
• LogD (pH = 7.4): 2.3563218
• Log P: 2.3563375
• Molar Refractivity: 78.2271 cm^3
• Polarizability: 29.064333 Å^3
• Polar Surface Area: 60.45 Å^2