2,3,5-trifluoro-6-methoxypyridine

• ChemBase ID: 50669
• Molecular Formular: C6H4F3NO
• Molecular Mass: 163.0972696
• Monoisotopic Mass: 163.02449841
• SMILES: c1(c(cc(c(n1)F)F)F)OC
• Canonical SMILES: COc1nc(F)c(cc1F)F
• InChI: InChI=1S/C6H4F3NO/c1-11-6-4(8)2-3(7)5(9)10-6/h2H,1H3
• InChIKey: MAUUGQYTCDMGIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trifluoro-6-methoxypyridine
• IUPAC Traditional name: 2,3,5-trifluoro-6-methoxypyridine
• Synonyms: 2-Methoxy-3,5,6-trifluoropyridine

Database IDs

• CAS Number: 3746-18-7
• MDL Number: MFCD12024839
• PubChem SID: 162055432
• PubChem CID: 23233914

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0143962
• LogD (pH = 7.4): 2.0143962
• Log P: 2.0143962
• Molar Refractivity: 32.3417 cm^3
• Polarizability: 11.436539 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%