2-bromo-6-phenoxypyridine

• ChemBase ID: 796994
• Molecular Formular: C11H8BrNO
• Molecular Mass: 250.09132
• Monoisotopic Mass: 248.97892588
• SMILES: n1c(cccc1Oc1ccccc1)Br
• Canonical SMILES: Brc1cccc(n1)Oc1ccccc1
• InChI: InChI=1S/C11H8BrNO/c12-10-7-4-8-11(13-10)14-9-5-2-1-3-6-9/h1-8H
• InChIKey: JCCHXHXBKRYZOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-phenoxypyridine
• IUPAC Traditional name: 2-bromo-6-phenoxypyridine
• Synonyms: 2-BroMo-6-phenoxypyridine; 2-BROMO-6-PHENOXY-PYRIDINE

Database IDs

• CAS Number: 83247-00-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8245928
• LogD (pH = 7.4): 3.8245928
• Log P: 3.8245928
• Molar Refractivity: 58.9204 cm^3
• Polarizability: 22.560179 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%