2-(chloromethyl)-4-methylpyridine hydrochloride

• ChemBase ID: 289363
• Molecular Formular: C7H9Cl2N
• Molecular Mass: 178.05906
• Monoisotopic Mass: 177.01120465
• SMILES: Cc1cc(CCl)ncc1.Cl
• Canonical SMILES: Cc1cc(CCl)ncc1.Cl
• InChI: InChI=1S/C7H8ClN.ClH/c1-6-2-3-9-7(4-6)5-8;/h2-4H,5H2,1H3;1H
• InChIKey: ZEPINNMMCXODOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4-methylpyridine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)-4-methylpyridine hydrochloride
• Synonyms: 2-(Chloromethyl)-4-methylpyridine hydrochloride

Database IDs

• CAS Number: 71670-71-8
• PubChem SID: 180674894
• PubChem CID: 20061071

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8452946
• LogD (pH = 7.4): 1.936403
• Log P: 1.9377087
• Molar Refractivity: 38.287 cm^3
• Polarizability: 14.847885 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%