5-bromo-2-(4-fluorophenyl)pyridine

• ChemBase ID: 71272
• Molecular Formular: C11H7BrFN
• Molecular Mass: 252.0823832
• Monoisotopic Mass: 250.97458945
• SMILES: n1c(c2ccc(cc2)F)ccc(c1)Br
• Canonical SMILES: Fc1ccc(cc1)c1ccc(cn1)Br
• InChI: InChI=1S/C11H7BrFN/c12-9-3-6-11(14-7-9)8-1-4-10(13)5-2-8/h1-7H
• InChIKey: HHIUIEAVRHPVNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(4-fluorophenyl)pyridine
• IUPAC Traditional name: 5-bromo-2-(4-fluorophenyl)pyridine
• Synonyms: 5-Bromo-2-(4-fluorophenyl)pyridine

Database IDs

• CAS Number: 463336-07-4
• MDL Number: MFCD11100950
• PubChem SID: 162036862
• PubChem CID: 22180779

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6993346
• LogD (pH = 7.4): 3.700094
• Log P: 3.7001035
• Molar Refractivity: 56.5045 cm^3
• Polarizability: 22.757494 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95+%