3-phenoxypyridine

• ChemBase ID: 797409
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: n1cc(ccc1)Oc1ccccc1
• Canonical SMILES: c1ccc(cc1)Oc1cccnc1
• InChI: InChI=1S/C11H9NO/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-9H
• InChIKey: KDGUIKPOZGYLQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenoxypyridine
• IUPAC Traditional name: 3-phenoxypyridine
• Synonyms: 3-Phenoxypyridine

Database IDs

• CAS Number: 2176-45-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2085335
• LogD (pH = 7.4): 2.2552233
• Log P: 2.2558606
• Molar Refractivity: 50.1419 cm^3
• Polarizability: 19.77322 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%