3-bromo-5-(3-chlorophenyl)pyridine

• ChemBase ID: 799263
• Molecular Formular: C11H7BrClN
• Molecular Mass: 268.53698
• Monoisotopic Mass: 266.94503891
• SMILES: n1cc(cc(c1)c1cc(ccc1)Cl)Br
• Canonical SMILES: Clc1cccc(c1)c1cncc(c1)Br
• InChI: InChI=1S/C11H7BrClN/c12-10-4-9(6-14-7-10)8-2-1-3-11(13)5-8/h1-7H
• InChIKey: YEFLJKWCTTZYOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-(3-chlorophenyl)pyridine
• IUPAC Traditional name: 3-bromo-5-(3-chlorophenyl)pyridine
• Synonyms: 3-Bromo-5-(3-chloro-phenyl)-pyridine

Database IDs

• CAS Number: 675590-26-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7742672
• LogD (pH = 7.4): 3.7755792
• Log P: 3.7755961
• Molar Refractivity: 61.4649 cm^3
• Polarizability: 24.938478 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%