4-(4-bromophenyl)pyridine

• ChemBase ID: 289350
• Molecular Formular: C11H8BrN
• Molecular Mass: 234.09192
• Monoisotopic Mass: 232.98401126
• SMILES: Brc1ccc(c2ccncc2)cc1
• Canonical SMILES: Brc1ccc(cc1)c1ccncc1
• InChI: InChI=1S/C11H8BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H
• InChIKey: GYJBDJGUNDKZKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-bromophenyl)pyridine
• IUPAC Traditional name: 4-(4-bromophenyl)pyridine
• Synonyms: 4-(4-Bromophenyl)pyridine

Database IDs

• CAS Number: 39795-60-3
• PubChem SID: 180674881
• PubChem CID: 616283

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0508614
• LogD (pH = 7.4): 3.1697373
• Log P: 3.1715515
• Molar Refractivity: 56.6601 cm^3
• Polarizability: 23.024134 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%