2-chloro-5-(chloromethyl)pyridine hydrochloride

• ChemBase ID: 802139
• Molecular Formular: C6H6Cl3N
• Molecular Mass: 198.47754
• Monoisotopic Mass: 196.95658224
• SMILES: Cl.n1c(ccc(c1)CCl)Cl
• Canonical SMILES: ClCc1ccc(nc1)Cl.Cl
• InChI: InChI=1S/C6H5Cl2N.ClH/c7-3-5-1-2-6(8)9-4-5;/h1-2,4H,3H2;1H
• InChIKey: ZHEXGKWVNRSSLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(chloromethyl)pyridine hydrochloride
• IUPAC Traditional name: 2-chloro-5-(chloromethyl)pyridine hydrochloride
• Synonyms: 2-CHLORO-5-CHLOROMETHYLPYRIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 82674-16-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1670287
• LogD (pH = 7.4): 2.1670372
• Log P: 2.1670372
• Molar Refractivity: 39.6341 cm^3
• Polarizability: 15.062553 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%