4-phenoxypyridine

• ChemBase ID: 69539
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: c1cc(ccn1)Oc1ccccc1
• Canonical SMILES: c1ccc(cc1)Oc1ccncc1
• InChI: InChI=1S/C11H9NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9H
• InChIKey: OATKXQIGHQXTDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenoxypyridine
• IUPAC Traditional name: 4-phenoxypyridine
• Synonyms: 4-Phenoxypyridine

Database IDs

• CAS Number: 4783-86-2
• MDL Number: MFCD00235157
• PubChem SID: 162035265
• PubChem CID: 249651

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7854052
• LogD (pH = 7.4): 2.2423282
• Log P: 2.2558606
• Molar Refractivity: 50.1419 cm^3
• Polarizability: 19.77038 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%