2-phenoxy-5-(trifluoromethyl)pyridine

• ChemBase ID: 98733
• Molecular Formular: C12H8F3NO
• Molecular Mass: 239.1932296
• Monoisotopic Mass: 239.05579854
• SMILES: n1c(ccc(c1)C(F)(F)F)Oc1ccccc1
• Canonical SMILES: FC(c1ccc(nc1)Oc1ccccc1)(F)F
• InChI: InChI=1S/C12H8F3NO/c13-12(14,15)9-6-7-11(16-8-9)17-10-4-2-1-3-5-10/h1-8H
• InChIKey: PQGUJZLNSPLGSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxy-5-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-phenoxy-5-(trifluoromethyl)pyridine
• Synonyms: 2-Phenoxy-5-(trifluoromethyl)pyridine

Database IDs

• PubChem SID: 162105284
• PubChem CID: 8891919

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7281582
• LogD (pH = 7.4): 3.7281666
• Log P: 3.7281666
• Molar Refractivity: 56.4291 cm^3
• Polarizability: 20.848177 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant