4-bromo-2-ethylpyridine

• ChemBase ID: 815648
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: n1c(cc(cc1)Br)CC
• Canonical SMILES: CCc1cc(Br)ccn1
• InChI: InChI=1S/C7H8BrN/c1-2-7-5-6(8)3-4-9-7/h3-5H,2H2,1H3
• InChIKey: TVRGNBFSOZCSSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-ethylpyridine
• IUPAC Traditional name: 4-bromo-2-ethylpyridine
• Synonyms: 4-bromo-2-ethylpyridine

Database IDs

• CAS Number: 156761-88-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3106658
• LogD (pH = 7.4): 2.3556252
• Log P: 2.356232
• Molar Refractivity: 40.7423 cm^3
• Polarizability: 15.82455 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%