3-bromo-5-(4-fluorophenyl)pyridine

• ChemBase ID: 67877
• Molecular Formular: C11H7BrFN
• Molecular Mass: 252.0823832
• Monoisotopic Mass: 250.97458945
• SMILES: c1c(cc(cn1)c1ccc(cc1)F)Br
• Canonical SMILES: Fc1ccc(cc1)c1cncc(c1)Br
• InChI: InChI=1S/C11H7BrFN/c12-10-5-9(6-14-7-10)8-1-3-11(13)4-2-8/h1-7H
• InChIKey: DWWNZCMYXUKIBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-(4-fluorophenyl)pyridine
• IUPAC Traditional name: 3-bromo-5-(4-fluorophenyl)pyridine
• Synonyms: 3-Bromo-5-(4-fluorophenyl)pyridine

Database IDs

• CAS Number: 675590-04-2
• MDL Number: MFCD09800589
• PubChem SID: 162033612
• PubChem CID: 28875852

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.312857
• LogD (pH = 7.4): 3.3142357
• Log P: 3.3142533
• Molar Refractivity: 56.8765 cm^3
• Polarizability: 22.756653 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%