3-(1-bromoethyl)pyridine hydrobromide

• ChemBase ID: 263083
• Molecular Formular: C7H9Br2N
• Molecular Mass: 266.96106
• Monoisotopic Mass: 264.91017329
• SMILES: c1(C(Br)C)cnccc1.Br
• Canonical SMILES: CC(c1cccnc1)Br.Br
• InChI: InChI=1S/C7H8BrN.BrH/c1-6(8)7-3-2-4-9-5-7;/h2-6H,1H3;1H
• InChIKey: NMORISQJKVYYNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-bromoethyl)pyridine hydrobromide
• IUPAC Traditional name: 3-(1-bromoethyl)pyridine hydrobromide
• Synonyms: 3-(1-bromoethyl)pyridine hydrobromide

Database IDs

• MDL Number: MFCD13195964
• PubChem SID: 164318993
• PubChem CID: 45792236

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8707918
• LogD (pH = 7.4): 1.9438479
• Log P: 1.9448857
• Molar Refractivity: 41.1703 cm^3
• Polarizability: 15.803492 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.956

Product Information

• Purity: 95%