2,3,4,5,6-pentachloro-1-fluoropyridin-1-ium; tetrafluoroboranuide

• ChemBase ID: 98159
• Molecular Formular: C5BCl5F5N
• Molecular Mass: 357.128216
• Monoisotopic Mass: 354.84865891
• SMILES: [n+]1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)F.[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.F[n+]1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C5Cl5FN.BF4/c6-1-2(7)4(9)12(11)5(10)3(1)8;2-1(3,4)5/q+1;-1
• InChIKey: VCPPDSMKMDLUNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,5,6-pentachloro-1-fluoropyridin-1-ium; tetrafluoroboranuide
• IUPAC Traditional name: 2,3,4,5,6-pentachloro-1-fluoropyridin-1-ium tetrafluoroborate
• Synonyms: N-Fluoro-2,3,4,5,6-pentachloropyridinium tetrafluoroborate

Database IDs

• CAS Number: 132041-54-4
• PubChem SID: 162084618
• PubChem CID: 14912316

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.89513904
• LogD (pH = 7.4): 0.89513904
• Log P: 0.89513904
• Molar Refractivity: 51.298 cm^3
• Polarizability: 19.759457 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Irritant/Air Sensitive/Light Sensitive