4-chloro-2,3-dimethylpyridine

• ChemBase ID: 801373
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: n1c(c(c(cc1)Cl)C)C
• Canonical SMILES: Cc1c(Cl)ccnc1C
• InChI: InChI=1S/C7H8ClN/c1-5-6(2)9-4-3-7(5)8/h3-4H,1-2H3
• InChIKey: WJWLNMWPSHIDHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,3-dimethylpyridine
• IUPAC Traditional name: 4-chloro-2,3-dimethylpyridine
• Synonyms: 4-CHLORO-2,3-DIMETHYLPYRIDINE

Database IDs

• CAS Number: 315496-27-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8502566
• LogD (pH = 7.4): 2.0020497
• Log P: 2.0044096
• Molar Refractivity: 38.3386 cm^3
• Polarizability: 14.825988 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%