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

• ChemBase ID: 292456
• Molecular Formular: C7H4Cl2N2
• Molecular Mass: 187.02606
• Monoisotopic Mass: 185.9751535
• SMILES: Cc1cc(Cl)c(C#N)c(Cl)n1
• Canonical SMILES: N#Cc1c(Cl)cc(nc1Cl)C
• InChI: InChI=1S/C7H4Cl2N2/c1-4-2-6(8)5(3-10)7(9)11-4/h2H,1H3
• InChIKey: BZKGFMCVNLCEJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-methylpyridine-3-carbonitrile
• IUPAC Traditional name: 2,4-dichloro-6-methylpyridine-3-carbonitrile
• Synonyms: 2,4-Dichloro-6-methylnicotinonitrile

Database IDs

• CAS Number: 38367-36-1
• PubChem SID: 180677987
• PubChem CID: 11275471

CALCULATED PROPERTIES

• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1713064
• LogD (pH = 7.4): 2.1713064
• Log P: 2.1713064
• Molar Refractivity: 44.8851 cm^3
• Polarizability: 16.945473 Å^3

PROPERTIES

Product Information

• Purity: 95+%