3-bromo-5-(2-chlorophenyl)pyridine

• ChemBase ID: 796533
• Molecular Formular: C11H7BrClN
• Molecular Mass: 268.53698
• Monoisotopic Mass: 266.94503891
• SMILES: n1cc(cc(c1)c1c(cccc1)Cl)Br
• Canonical SMILES: Brc1cncc(c1)c1ccccc1Cl
• InChI: InChI=1S/C11H7BrClN/c12-9-5-8(6-14-7-9)10-3-1-2-4-11(10)13/h1-7H
• InChIKey: ZEAGJAPOXBXKDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-(2-chlorophenyl)pyridine
• IUPAC Traditional name: 3-bromo-5-(2-chlorophenyl)pyridine
• Synonyms: 3-BroMo-5-(2-chlorophenyl)pyridine

Database IDs

• CAS Number: 912934-76-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.774522
• LogD (pH = 7.4): 3.7755826
• Log P: 3.7755961
• Molar Refractivity: 61.4649 cm^3
• Polarizability: 24.94765 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%