2-bromo-6-(chloromethyl)pyridine

• ChemBase ID: 802149
• Molecular Formular: C6H5BrClN
• Molecular Mass: 206.4676
• Monoisotopic Mass: 204.92938885
• SMILES: n1c(cccc1CCl)Br
• Canonical SMILES: ClCc1cccc(n1)Br
• InChI: InChI=1S/C6H5BrClN/c7-6-3-1-2-5(4-8)9-6/h1-3H,4H2
• InChIKey: BYQJMBHZLIDFBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(chloromethyl)pyridine
• IUPAC Traditional name: 2-bromo-6-(chloromethyl)pyridine
• Synonyms: 2-BROMO-6-(CHLOROMETHYL)PYRIDINE

Database IDs

• CAS Number: 727356-19-6

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: 98%