2-(2-bromophenyl)pyridine

• ChemBase ID: 798262
• Molecular Formular: C11H8BrN
• Molecular Mass: 234.09192
• Monoisotopic Mass: 232.98401126
• SMILES: n1c(cccc1)c1c(cccc1)Br
• Canonical SMILES: Brc1ccccc1c1ccccn1
• InChI: InChI=1S/C11H8BrN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-8H
• InChIKey: NNGXNALKPNFUQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 109306-86-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5481358
• LogD (pH = 7.4): 3.5572836
• Log P: 3.5574017
• Molar Refractivity: 56.2881 cm^3
• Polarizability: 23.033075 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%