2-bromo-6-ethylpyridine

• ChemBase ID: 289280
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: CCc1cccc(Br)n1
• Canonical SMILES: CCc1cccc(n1)Br
• InChI: InChI=1S/C7H8BrN/c1-2-6-4-3-5-7(8)9-6/h3-5H,2H2,1H3
• InChIKey: TYOSQEKDQKYBLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-ethylpyridine
• IUPAC Traditional name: 2-bromo-6-ethylpyridine
• Synonyms: 2-Bromo-6-ethylpyridine

Database IDs

• CAS Number: 83004-13-1
• MDL Number: MFCD11869660
• PubChem SID: 180674811
• PubChem CID: 12954800

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5616064
• LogD (pH = 7.4): 2.561752
• Log P: 2.561754
• Molar Refractivity: 41.5845 cm^3
• Polarizability: 15.8779745 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%