2,4-dichloro-6-methylpyridine-3-carboxamide

• ChemBase ID: 292455
• Molecular Formular: C7H6Cl2N2O
• Molecular Mass: 205.04134
• Monoisotopic Mass: 203.98571818
• SMILES: O=C(N)c1c(Cl)nc(C)cc1Cl
• Canonical SMILES: Cc1cc(Cl)c(c(n1)Cl)C(=O)N
• InChI: InChI=1S/C7H6Cl2N2O/c1-3-2-4(8)5(7(10)12)6(9)11-3/h2H,1H3,(H2,10,12)
• InChIKey: FTFWEWFQKLHODH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-methylpyridine-3-carboxamide
• IUPAC Traditional name: 2,4-dichloro-6-methylpyridine-3-carboxamide
• Synonyms: 2,4-Dichloro-6-methylnicotinamide

Database IDs

• CAS Number: 70593-58-7
• PubChem SID: 180677986
• PubChem CID: 778197

CALCULATED PROPERTIES

• Acid pKa: 11.482061
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1658492
• LogD (pH = 7.4): 1.1658825
• Log P: 1.1658504
• Molar Refractivity: 48.2419 cm^3
• Polarizability: 18.013363 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%