3-(2-bromoethoxy)pyridine

• ChemBase ID: 240311
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: n1cc(OCCBr)ccc1
• Canonical SMILES: BrCCOc1cccnc1
• InChI: InChI=1S/C7H8BrNO/c8-3-5-10-7-2-1-4-9-6-7/h1-2,4,6H,3,5H2
• InChIKey: CZDNYGNWQNMKBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09034764
• PubChem SID: 164296221
• PubChem CID: 10679598

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3783937
• LogD (pH = 7.4): 1.4469204
• Log P: 1.4478872
• Molar Refractivity: 42.6911 cm^3
• Polarizability: 16.560808 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.797

Product Information

• Purity: 95%