4-chloro-3,5-dimethylpyridine

• ChemBase ID: 799261
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: n1cc(c(c(c1)C)Cl)C
• Canonical SMILES: Cc1cncc(c1Cl)C
• InChI: InChI=1S/C7H8ClN/c1-5-3-9-4-6(2)7(5)8/h3-4H,1-2H3
• InChIKey: KQZPYCAYJQTSMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3,5-dimethylpyridine
• IUPAC Traditional name: 4-chloro-3,5-dimethylpyridine
• Synonyms: 4-Chloro-3,5-dimethyl-pyridine; 4-CHLORO-3,5-DIMETHYLPYRIDINE

Database IDs

• CAS Number: 19524-10-8; 143798-73-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.280731
• LogD (pH = 7.4): 2.3849077
• Log P: 2.3864608
• Molar Refractivity: 38.7883 cm^3
• Polarizability: 14.825453 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%; 98%