2-(2-bromoethyl)pyridine

• ChemBase ID: 308285
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: n1c(CCBr)cccc1
• Canonical SMILES: BrCCc1ccccn1
• InChI: InChI=1S/C7H8BrN/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2
• InChIKey: VZWCPLGFXOCGLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethyl)pyridine
• IUPAC Traditional name: 2-(2-bromoethyl)pyridine
• Synonyms: 2-(2-bromoethyl)pyridine

Database IDs

• CAS Number: 39232-04-7
• MDL Number: MFCD04038851

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.8419883
• Log P: 1.8467953
• Molar Refractivity: 40.9287 cm^3
• Polarizability: 15.732883 Å^3
• Polar Surface Area: 12.89 Å^2
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5780607