2-(chloromethyl)-5-methylpyridine

• ChemBase ID: 288915
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: Cc1cnc(CCl)cc1
• Canonical SMILES: ClCc1ccc(cn1)C
• InChI: InChI=1S/C7H8ClN/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,4H2,1H3
• InChIKey: MXOPKPMEGUYUCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 767-01-1
• PubChem SID: 180674446
• PubChem CID: 588056

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8826885
• LogD (pH = 7.4): 1.9369673
• Log P: 1.9377087
• Molar Refractivity: 38.287 cm^3
• Polarizability: 14.849396 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%