2,6-dichloro-3-(difluoromethyl)-5-fluoropyridine

• ChemBase ID: 66205
• Molecular Formular: C6H2Cl2F3N
• Molecular Mass: 215.9879896
• Monoisotopic Mass: 214.95163909
• SMILES: c1(c(cc(c(n1)Cl)F)C(F)F)Cl
• Canonical SMILES: FC(c1cc(F)c(nc1Cl)Cl)F
• InChI: InChI=1S/C6H2Cl2F3N/c7-4-2(6(10)11)1-3(9)5(8)12-4/h1,6H
• InChIKey: QVEUGAUQNBOLML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-(difluoromethyl)-5-fluoropyridine
• IUPAC Traditional name: 2,6-dichloro-3-(difluoromethyl)-5-fluoropyridine
• Synonyms: 2,6-Dichloro-3-(difluoromethyl)-5-fluoro-pyridine

Database IDs

• MDL Number: MFCD22199308
• PubChem SID: 162031944
• PubChem CID: 60623017

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.935807
• LogD (pH = 7.4): 2.935807
• Log P: 2.935807
• Molar Refractivity: 40.9337 cm^3
• Polarizability: 14.849928 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%