2-chloro-4,5-dimethylpyridine

• ChemBase ID: 164219
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: c1(cnc(cc1C)Cl)C
• Canonical SMILES: Clc1ncc(c(c1)C)C
• InChI: InChI=1S/C7H8ClN/c1-5-3-7(8)9-4-6(5)2/h3-4H,1-2H3
• InChIKey: UIUDRIPPDPPWRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 343268-69-9
• PubChem SID: 162258354
• PubChem CID: 10942534

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6063588
• LogD (pH = 7.4): 2.6066346
• Log P: 2.606638
• Molar Refractivity: 39.8496 cm^3
• Polarizability: 14.880755 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C365455

2-Chloro-4,5-dimethylpyridine is a trisubstituted pyridine used in the preparation of MCH receptor antagonists.