2-bromo-5-phenylpyridine

• ChemBase ID: 70787
• Molecular Formular: C11H8BrN
• Molecular Mass: 234.09192
• Monoisotopic Mass: 232.98401126
• SMILES: c1(ccc(cn1)c1ccccc1)Br
• Canonical SMILES: Brc1ccc(cn1)c1ccccc1
• InChI: InChI=1S/C11H8BrN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
• InChIKey: TVOAXRDXTGCPBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-phenylpyridine
• IUPAC Traditional name: 2-bromo-5-phenylpyridine
• Synonyms: 2-Bromo-5-phenylpyridine

Database IDs

• CAS Number: 107351-82-6
• MDL Number: MFCD04114195
• PubChem SID: 162036497
• PubChem CID: 2762875

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.3770733
• Log P: 3.3770733
• Molar Refractivity: 57.5023 cm^3
• Polarizability: 23.084366 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.377058

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%