5-bromo-2-phenoxypyridine

• ChemBase ID: 288023
• Molecular Formular: C11H8BrNO
• Molecular Mass: 250.09132
• Monoisotopic Mass: 248.97892588
• SMILES: Brc1cnc(Oc2ccccc2)cc1
• Canonical SMILES: Brc1ccc(nc1)Oc1ccccc1
• InChI: InChI=1S/C11H8BrNO/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H
• InChIKey: ZHIHQFMWBOTCQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-phenoxypyridine
• IUPAC Traditional name: 5-bromo-2-phenoxypyridine
• Synonyms: 5-Bromo-2-phenoxypyridine

Database IDs

• CAS Number: 59717-96-3
• PubChem SID: 180673554
• PubChem CID: 22346845

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6190689
• LogD (pH = 7.4): 3.6190708
• Log P: 3.6190708
• Molar Refractivity: 58.0782 cm^3
• Polarizability: 22.509378 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%