4-(4-bromophenoxy)pyridine

• ChemBase ID: 257914
• Molecular Formular: C11H8BrNO
• Molecular Mass: 250.09132
• Monoisotopic Mass: 248.97892588
• SMILES: n1ccc(Oc2ccc(Br)cc2)cc1
• Canonical SMILES: Brc1ccc(cc1)Oc1ccncc1
• InChI: InChI=1S/C11H8BrNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-8H
• InChIKey: TZTRSTMVTWWEDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09939094
• PubChem SID: 164313824
• PubChem CID: 24700131

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.554346
• LogD (pH = 7.4): 3.0110922
• Log P: 3.0246131
• Molar Refractivity: 57.7647 cm^3
• Polarizability: 22.499292 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.606

Product Information

• Purity: 95%