2-(chloromethyl)-6-methylpyridine hydrochloride

• ChemBase ID: 276740
• Molecular Formular: C7H9Cl2N
• Molecular Mass: 178.05906
• Monoisotopic Mass: 177.01120465
• SMILES: n1c(CCl)cccc1C.Cl
• Canonical SMILES: ClCc1cccc(n1)C.Cl
• InChI: InChI=1S/C7H8ClN.ClH/c1-6-3-2-4-7(5-8)9-6;/h2-4H,5H2,1H3;1H
• InChIKey: QFLPSIUFCCCRMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-6-methylpyridine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)-6-methylpyridine hydrochloride
• Synonyms: 2-(chloromethyl)-6-methylpyridine hydrochloride

Database IDs

• MDL Number: MFCD01691969
• PubChem SID: 164332650
• PubChem CID: 76545

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4704834
• LogD (pH = 7.4): 1.5544714
• Log P: 1.5556575
• Molar Refractivity: 37.8373 cm^3
• Polarizability: 14.84967 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.706

Product Information

• Purity: 95%