2-bromo-6-(chloromethyl)pyridine hydrochloride

• ChemBase ID: 799764
• Molecular Formular: C6H6BrCl2N
• Molecular Mass: 242.92854
• Monoisotopic Mass: 240.90606656
• SMILES: Cl.n1c(cccc1CCl)Br
• Canonical SMILES: ClCc1cccc(n1)Br.Cl
• InChI: InChI=1S/C6H5BrClN.ClH/c7-6-3-1-2-5(4-8)9-6;/h1-3H,4H2;1H
• InChIKey: YUADUYQBMVFPNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 188637-69-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.398558
• LogD (pH = 7.4): 2.398562
• Log P: 2.398562
• Molar Refractivity: 41.7108 cm^3
• Polarizability: 16.073729 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%