2-bromo-5-(chloromethyl)pyridine

• ChemBase ID: 802136
• Molecular Formular: C6H5BrClN
• Molecular Mass: 206.4676
• Monoisotopic Mass: 204.92938885
• SMILES: n1c(ccc(c1)CCl)Br
• Canonical SMILES: ClCc1ccc(nc1)Br
• InChI: InChI=1S/C6H5BrClN/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3H2
• InChIKey: OBELEIMYZJJCDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(chloromethyl)pyridine
• IUPAC Traditional name: 2-bromo-5-(chloromethyl)pyridine
• Synonyms: 2-BROMO-5-(CHLOROMETHYL)PYRIDINE

Database IDs

• CAS Number: 168173-56-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3170707
• LogD (pH = 7.4): 2.3170898
• Log P: 2.31709
• Molar Refractivity: 42.233 cm^3
• Polarizability: 16.072517 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%