2,3,5,6-tetrafluoro-4-methoxypyridine

• ChemBase ID: 311020
• Molecular Formular: C6H3F4NO
• Molecular Mass: 181.0877328
• Monoisotopic Mass: 181.0150766
• SMILES: n1c(c(c(c(c1F)F)OC)F)F
• Canonical SMILES: COc1c(F)c(F)nc(c1F)F
• InChI: InChI=1S/C6H3F4NO/c1-12-4-2(7)5(9)11-6(10)3(4)8/h1H3
• InChIKey: PBQDQTXTAWOJPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetrafluoro-4-methoxypyridine
• IUPAC Traditional name: 2,3,5,6-tetrafluoro-4-methoxypyridine
• Synonyms: 2,3,5,6-tetrafluoro-4-methoxypyridine

Database IDs

• CAS Number: 2375-90-8
• MDL Number: MFCD08691738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9565712
• LogD (pH = 7.4): 1.9565712
• Log P: 1.9565712
• Molar Refractivity: 33.2593 cm^3
• Polarizability: 11.411359 Å^3
• Polar Surface Area: 22.12 Å^2