5-(chloromethyl)-2-methylpyridine

• ChemBase ID: 802137
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: n1c(ccc(c1)CCl)C
• Canonical SMILES: ClCc1ccc(nc1)C
• InChI: InChI=1S/C7H8ClN/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,4H2,1H3
• InChIKey: ZDEBRYJZUMDNFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-2-methylpyridine
• IUPAC Traditional name: 5-(chloromethyl)-2-methylpyridine
• Synonyms: 5-(CHLOROMETHYL)-2-METHYLPYRIDINE

Database IDs

• CAS Number: 52426-66-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1844742
• LogD (pH = 7.4): 1.4688479
• Log P: 1.4741857
• Molar Refractivity: 38.3595 cm^3
• Polarizability: 14.848347 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%