3-(chloromethyl)-2-methylpyridine

• ChemBase ID: 310062
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: c1(c(nccc1)C)CCl
• Canonical SMILES: ClCc1cccnc1C
• InChI: InChI=1S/C7H8ClN/c1-6-7(5-8)3-2-4-9-6/h2-4H,5H2,1H3
• InChIKey: DYINCOADXUUIHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(chloromethyl)-2-methylpyridine
• IUPAC Traditional name: 3-(chloromethyl)-2-methylpyridine
• Synonyms: 3-(chloromethyl)-2-methylpyridine

Database IDs

• CAS Number: 120277-68-1
• MDL Number: MFCD10697614

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1517348
• LogD (pH = 7.4): 1.4679601
• Log P: 1.4741857
• Molar Refractivity: 38.3595 cm^3
• Polarizability: 14.848539 Å^3
• Polar Surface Area: 12.89 Å^2

PROPERTIES

Product Information

• Purity: 98%