2-(4-bromophenyl)pyridine

• ChemBase ID: 294086
• Molecular Formular: C11H8BrN
• Molecular Mass: 234.09192
• Monoisotopic Mass: 232.98401126
• SMILES: Brc1ccc(c2ncccc2)cc1
• Canonical SMILES: Brc1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C11H8BrN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H
• InChIKey: FBQFCXDBCPREBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)pyridine
• IUPAC Traditional name: 2-(4-bromophenyl)pyridine
• Synonyms: 2-(4-Bromophenyl)pyridine

Database IDs

• CAS Number: 63996-36-1
• PubChem SID: 180679617
• PubChem CID: 1515237

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5242455
• LogD (pH = 7.4): 3.556967
• Log P: 3.5574017
• Molar Refractivity: 56.2881 cm^3
• Polarizability: 23.028019 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%; 98%