6-chloro-3-(chloromethyl)-2-methylpyridine hydrochloride

• ChemBase ID: 243846
• Molecular Formular: C7H8Cl3N
• Molecular Mass: 212.50412
• Monoisotopic Mass: 210.9722323
• SMILES: n1c(c(ccc1Cl)CCl)C.Cl
• Canonical SMILES: ClCc1ccc(nc1C)Cl.Cl
• InChI: InChI=1S/C7H7Cl2N.ClH/c1-5-6(4-8)2-3-7(9)10-5;/h2-3H,4H2,1H3;1H
• InChIKey: UEIZQWHNOMTFSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-(chloromethyl)-2-methylpyridine hydrochloride
• IUPAC Traditional name: 6-chloro-3-(chloromethyl)-2-methylpyridine hydrochloride
• Synonyms: 6-chloro-3-(chloromethyl)-2-methylpyridine hydrochloride

Database IDs

• MDL Number: MFCD22628387
• PubChem SID: 164299756
• PubChem CID: 71757355

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2983527
• LogD (pH = 7.4): 2.2984068
• Log P: 2.2984076
• Molar Refractivity: 44.2256 cm^3
• Polarizability: 16.817156 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.453

Product Information

• Purity: 95%