3,4-dichloro-2,5,6-trifluoropyridine

• ChemBase ID: 51428
• Molecular Formular: C5Cl2F3N
• Molecular Mass: 201.9614096
• Monoisotopic Mass: 200.93598903
• SMILES: c1(c(c(c(c(n1)F)F)Cl)Cl)F
• Canonical SMILES: Fc1c(F)nc(c(c1Cl)Cl)F
• InChI: InChI=1S/C5Cl2F3N/c6-1-2(7)4(9)11-5(10)3(1)8
• InChIKey: FFSXMGSDBLBXPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-2,5,6-trifluoropyridine
• IUPAC Traditional name: 3,4-dichloro-2,5,6-trifluoropyridine
• Synonyms: 3,4-Dichloro-2,5,6-trifluoropyridine

Database IDs

• MDL Number: MFCD12024847
• PubChem SID: 162056191
• PubChem CID: 14149382

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1796298
• LogD (pH = 7.4): 3.1796298
• Log P: 3.1796298
• Molar Refractivity: 36.1893 cm^3
• Polarizability: 13.014466 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%