2-bromo-5-ethylpyridine

• ChemBase ID: 162886
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: c1(cnc(cc1)Br)CC
• Canonical SMILES: CCc1ccc(nc1)Br
• InChI: InChI=1S/C7H8BrN/c1-2-6-3-4-7(8)9-5-6/h3-5H,2H2,1H3
• InChIKey: MVXBQGHDMSEOGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19842-08-1
• PubChem SID: 162257021
• PubChem CID: 22102169

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6877282
• LogD (pH = 7.4): 2.6878366
• Log P: 2.687838
• Molar Refractivity: 42.0083 cm^3
• Polarizability: 15.877542 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - B684320

2-Chloro-5-ethylpyridine is a disubstituted pyridine used in the preparation of biologically active compounds such as potential prostacyclin receptor inhibitors.