3-bromo-2-ethylpyridine

• ChemBase ID: 813812
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: n1c(c(ccc1)Br)CC
• Canonical SMILES: CCc1ncccc1Br
• InChI: InChI=1S/C7H8BrN/c1-2-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
• InChIKey: MEBNLBHILOYVPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-ethylpyridine
• IUPAC Traditional name: 3-bromo-2-ethylpyridine
• Synonyms: 3-bromo-2-ethylpyridine

Database IDs

• CAS Number: 38749-81-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3389876
• LogD (pH = 7.4): 2.3560102
• Log P: 2.356232
• Molar Refractivity: 40.7423 cm^3
• Polarizability: 15.8299465 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%