6-chloro-2,3-dimethylpyridine

• ChemBase ID: 308499
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: n1c(c(ccc1Cl)C)C
• Canonical SMILES: Clc1ccc(c(n1)C)C
• InChI: InChI=1S/C7H8ClN/c1-5-3-4-7(8)9-6(5)2/h3-4H,1-2H3
• InChIKey: YNPVNRJYHWHNSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,3-dimethylpyridine
• IUPAC Traditional name: 6-chloro-2,3-dimethylpyridine
• Synonyms: 6-chloro-2,3-dimethylpyridine

Database IDs

• CAS Number: 72093-13-1
• MDL Number: MFCD11505294

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.2245836
• Log P: 2.2245867
• Molar Refractivity: 39.3999 cm^3
• Polarizability: 14.882242 Å^3
• Polar Surface Area: 12.89 Å^2
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.224338