3-(3-bromopropyl)pyridine

• ChemBase ID: 308034
• Molecular Formular: C8H10BrN
• Molecular Mass: 200.0757
• Monoisotopic Mass: 198.99966133
• SMILES: n1cc(CCCBr)ccc1
• Canonical SMILES: BrCCCc1cccnc1
• InChI: InChI=1S/C8H10BrN/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2
• InChIKey: BJTBTVNTKNDUJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-bromopropyl)pyridine
• IUPAC Traditional name: 3-(3-bromopropyl)pyridine
• Synonyms: 3-(3-bromopropyl)pyridine

Database IDs

• CAS Number: 109839-74-9
• MDL Number: MFCD09028384

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9796221
• LogD (pH = 7.4): 2.2559988
• Log P: 2.2615407
• Molar Refractivity: 46.1075 cm^3
• Polarizability: 17.546726 Å^3
• Polar Surface Area: 12.89 Å^2