2-bromo-6-phenylpyridine

• ChemBase ID: 308568
• Molecular Formular: C11H8BrN
• Molecular Mass: 234.09192
• Monoisotopic Mass: 232.98401126
• SMILES: n1c(c2ccccc2)cccc1Br
• Canonical SMILES: Brc1cccc(n1)c1ccccc1
• InChI: InChI=1S/C11H8BrN/c12-11-8-4-7-10(13-11)9-5-2-1-3-6-9/h1-8H
• InChIKey: XIYPPJVLAAXYAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-phenylpyridine
• IUPAC Traditional name: 2-bromo-6-phenylpyridine
• Synonyms: 2-bromo-6-phenylpyridine

Database IDs

• CAS Number: 39774-26-0
• MDL Number: MFCD00234691

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.762915
• LogD (pH = 7.4): 3.7629237
• Log P: 3.7629237
• Molar Refractivity: 57.1303 cm^3
• Polarizability: 23.086718 Å^3
• Polar Surface Area: 12.89 Å^2