2-chloro-5,6-dimethylpyridine-3-carboxamide

• ChemBase ID: 309713
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: c1(c(nc(c(c1)C)C)Cl)C(=O)N
• Canonical SMILES: NC(=O)c1cc(C)c(nc1Cl)C
• InChI: InChI=1S/C8H9ClN2O/c1-4-3-6(8(10)12)7(9)11-5(4)2/h3H,1-2H3,(H2,10,12)
• InChIKey: IQLIVLJINUELSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5,6-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 2-chloro-5,6-dimethylpyridine-3-carboxamide
• Synonyms: 2-chloro-5,6-dimethylnicotinamide

Database IDs

• MDL Number: MFCD19982729

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0752076
• LogD (pH = 7.4): 1.0752296
• Log P: 1.0752271
• Molar Refractivity: 48.4783 cm^3
• Polarizability: 17.78762 Å^3
• Polar Surface Area: 55.98 Å^2