3-bromo-5-(2,4-dichlorophenyl)pyridine

• ChemBase ID: 796996
• Molecular Formular: C11H6BrCl2N
• Molecular Mass: 302.98204
• Monoisotopic Mass: 300.90606656
• SMILES: n1cc(cc(c1)c1c(cc(cc1)Cl)Cl)Br
• Canonical SMILES: Clc1ccc(c(c1)Cl)c1cncc(c1)Br
• InChI: InChI=1S/C11H6BrCl2N/c12-8-3-7(5-15-6-8)10-2-1-9(13)4-11(10)14/h1-6H
• InChIKey: VLYYTTHCHGJYNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-(2,4-dichlorophenyl)pyridine
• IUPAC Traditional name: 3-bromo-5-(2,4-dichlorophenyl)pyridine
• Synonyms: 3-BroMo-5-(2,4-dichlorophenyl)pyridine

Database IDs

• CAS Number: 675590-24-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.378566
• LogD (pH = 7.4): 4.379627
• Log P: 4.3796406
• Molar Refractivity: 66.2697 cm^3
• Polarizability: 26.882195 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%