2-bromo-4-phenylpyridine

• ChemBase ID: 93010
• Molecular Formular: C11H8BrN
• Molecular Mass: 234.09192
• Monoisotopic Mass: 232.98401126
• SMILES: n1c(cc(cc1)c1ccccc1)Br
• Canonical SMILES: Brc1nccc(c1)c1ccccc1
• InChI: InChI=1S/C11H8BrN/c12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H
• InChIKey: KRIILKQTJUOQCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-phenylpyridine
• IUPAC Traditional name: 2-bromo-4-phenylpyridine
• Synonyms: 2-Bromo-4-phenylpyridine

Database IDs

• CAS Number: 54151-74-5
• MDL Number: MFCD00235159
• PubChem SID: 162079708
• PubChem CID: 104700

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3770316
• LogD (pH = 7.4): 3.3770728
• Log P: 3.3770733
• Molar Refractivity: 57.5023 cm^3
• Polarizability: 23.082907 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+%