2-(2-bromophenoxy)pyridine

• ChemBase ID: 240715
• Molecular Formular: C11H8BrNO
• Molecular Mass: 250.09132
• Monoisotopic Mass: 248.97892588
• SMILES: O(c1c(Br)cccc1)c1ncccc1
• Canonical SMILES: Brc1ccccc1Oc1ccccn1
• InChI: InChI=1S/C11H8BrNO/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H
• InChIKey: SMNHOCXRZOGARB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09931764
• PubChem SID: 164296625
• PubChem CID: 13169698

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6189609
• LogD (pH = 7.4): 3.6190693
• Log P: 3.6190708
• Molar Refractivity: 58.0782 cm^3
• Polarizability: 22.51164 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.376

Product Information

• Purity: 95%