5-(chloromethyl)-2-methylpyridine hydrochloride

• ChemBase ID: 293155
• Molecular Formular: C7H9Cl2N
• Molecular Mass: 178.05906
• Monoisotopic Mass: 177.01120465
• SMILES: Cc1ncc(CCl)cc1.Cl
• Canonical SMILES: ClCc1ccc(nc1)C.Cl
• InChI: InChI=1S/C7H8ClN.ClH/c1-6-2-3-7(4-8)5-9-6;/h2-3,5H,4H2,1H3;1H
• InChIKey: GVMVLNGLIOYALD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 106651-81-4
• MDL Number: MFCD11111128
• PubChem SID: 180678686
• PubChem CID: 12214339

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: 95+%; 98%