4-chloro-2,5-dimethylpyridine

• ChemBase ID: 310105
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: c1(c(cnc(c1)C)C)Cl
• Canonical SMILES: Cc1ncc(c(c1)Cl)C
• InChI: InChI=1S/C7H8ClN/c1-5-4-9-6(2)3-7(5)8/h3-4H,1-2H3
• InChIKey: PKEAPXXPQSPHFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,5-dimethylpyridine
• IUPAC Traditional name: 4-chloro-2,5-dimethylpyridine
• Synonyms: 4-chloro-2,5-dimethylpyridine

Database IDs

• CAS Number: 22282-80-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8619599
• LogD (pH = 7.4): 2.0022624
• Log P: 2.0044096
• Molar Refractivity: 38.3386 cm^3
• Polarizability: 14.8258705 Å^3
• Polar Surface Area: 12.89 Å^2