3,4,5-trifluoropyridine

• ChemBase ID: 38209
• Molecular Formular: C5H2F3N
• Molecular Mass: 133.0712896
• Monoisotopic Mass: 133.01393373
• SMILES: c1(cncc(c1F)F)F
• Canonical SMILES: Fc1c(F)cncc1F
• InChI: InChI=1S/C5H2F3N/c6-3-1-9-2-4(7)5(3)8/h1-2H
• InChIKey: OCKWONYIDVFISR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trifluoropyridine
• IUPAC Traditional name: 3,4,5-trifluoropyridine
• Synonyms: 3,4,5-Trifluoropyridine

Database IDs

• CAS Number: 67815-54-7
• MDL Number: MFCD09998883
• PubChem SID: 161001516
• PubChem CID: 16181465

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.183677
• LogD (pH = 7.4): 1.1836792
• Log P: 1.1836792
• Molar Refractivity: 24.5503 cm^3
• Polarizability: 8.878564 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%