2,6-dichloro-4-(trifluoromethoxy)pyridine

• ChemBase ID: 237643
• Molecular Formular: C6H2Cl2F3NO
• Molecular Mass: 231.9873896
• Monoisotopic Mass: 230.94655371
• SMILES: n1c(cc(cc1Cl)OC(F)(F)F)Cl
• Canonical SMILES: FC(Oc1cc(Cl)nc(c1)Cl)(F)F
• InChI: InChI=1S/C6H2Cl2F3NO/c7-4-1-3(2-5(8)12-4)13-6(9,10)11/h1-2H
• InChIKey: LQQQZFORVMZJAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-(trifluoromethoxy)pyridine
• IUPAC Traditional name: 2,6-dichloro-4-(trifluoromethoxy)pyridine
• Synonyms: 2,6-dichloro-4-(trifluoromethoxy)pyridine

Database IDs

• MDL Number: MFCD22391937
• PubChem SID: 164293553
• PubChem CID: 71755973

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8351288
• LogD (pH = 7.4): 3.8351288
• Log P: 3.8351288
• Molar Refractivity: 38.7036 cm^3
• Polarizability: 15.671449 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.655

Product Information

• Purity: 95%