3-(2-bromoethyl)pyridine hydrobromide

• ChemBase ID: 270598
• Molecular Formular: C7H9Br2N
• Molecular Mass: 266.96106
• Monoisotopic Mass: 264.91017329
• SMILES: n1cc(CCBr)ccc1.Br
• Canonical SMILES: BrCCc1cccnc1.Br
• InChI: InChI=1S/C7H8BrN.BrH/c8-4-3-7-2-1-5-9-6-7;/h1-2,5-6H,3-4H2;1H
• InChIKey: ITVQNNGZGWJKGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-bromoethyl)pyridine hydrobromide
• IUPAC Traditional name: 3-(2-bromoethyl)pyridine hydrobromide
• Synonyms: 3-(2-bromoethyl)pyridine hydrobromide

Database IDs

• MDL Number: MFCD16988656
• PubChem SID: 164326508
• PubChem CID: 20204681

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5524772
• LogD (pH = 7.4): 1.8119318
• Log P: 1.8169719
• Molar Refractivity: 41.5065 cm^3
• Polarizability: 15.732377 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 1.526

Product Information

• Purity: 95%