4-chloro-2-{[2-(trifluoromethyl)phenyl]methoxy}pyridine

• ChemBase ID: 796625
• Molecular Formular: C13H9ClF3NO
• Molecular Mass: 287.6648696
• Monoisotopic Mass: 287.03247625
• SMILES: n1c(cc(cc1)Cl)OCc1c(cccc1)C(F)(F)F
• Canonical SMILES: Clc1ccnc(c1)OCc1ccccc1C(F)(F)F
• InChI: InChI=1S/C13H9ClF3NO/c14-10-5-6-18-12(7-10)19-8-9-3-1-2-4-11(9)13(15,16)17/h1-7H,8H2
• InChIKey: AEKQQFNPDJFCKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-{[2-(trifluoromethyl)phenyl]methoxy}pyridine
• IUPAC Traditional name: 4-chloro-2-{[2-(trifluoromethyl)phenyl]methoxy}pyridine
• Synonyms: 4-Chloro-2-((2-(trifluoroMethyl)benzyl)oxy)pyridine

Database IDs

• CAS Number: 1346707-18-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.398641
• LogD (pH = 7.4): 4.398725
• Log P: 4.398726
• Molar Refractivity: 66.0689 cm^3
• Polarizability: 24.577938 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%