4-(2-bromophenoxy)pyridine

• ChemBase ID: 257913
• Molecular Formular: C11H8BrNO
• Molecular Mass: 250.09132
• Monoisotopic Mass: 248.97892588
• SMILES: c1(Oc2ccncc2)c(Br)cccc1
• Canonical SMILES: Brc1ccccc1Oc1ccncc1
• InChI: InChI=1S/C11H8BrNO/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-8H
• InChIKey: LEYSHVVIBUCHMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-bromophenoxy)pyridine
• IUPAC Traditional name: 4-(2-bromophenoxy)pyridine
• Synonyms: 4-(2-bromophenoxy)pyridine

Database IDs

• MDL Number: MFCD09949519
• PubChem SID: 164313823
• PubChem CID: 24709799

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5694735
• LogD (pH = 7.4): 3.0119662
• Log P: 3.0246131
• Molar Refractivity: 57.7647 cm^3
• Polarizability: 22.50664 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 3.376

Product Information

• Purity: 95%