4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine

C17H2F11N — CID 133088605

IUPAC4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESFc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C17H2F11N/c18-3-1-4(6-8(19)12(23)16(27)13(24)9(6)20)29-5(2-3)7-10(21)14(25)17(28)15(26)11(7)22/h1-2H
InChIKeyFEUKAYBCGCRPFH-UHFFFAOYSA-N
MW429.19 g/mol
LogP5.95
Rot. Bonds2

About 4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine

4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine (PubChem CID 133088605) has the molecular formula C17H2F11N and a molecular weight of 429.19 g/mol. Its IUPAC name is 4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine.

Molecular Properties

Compound Name4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine
PubChem CID133088605
Molecular FormulaC17H2F11N
Molecular Weight429.19 g/mol
Exact Mass429.00
IUPAC Name4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESFc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C17H2F11N/c18-3-1-4(6-8(19)12(23)16(27)13(24)9(6)20)29-5(2-3)7-10(21)14(25)17(28)15(26)11(7)22/h1-2H
InChIKeyFEUKAYBCGCRPFH-UHFFFAOYSA-N
XLogP5.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.19
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine?
The IUPAC name of 4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine (CID 133088605) is 4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine.
What is the SMILES notation for 4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine?
The canonical SMILES for 4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine is Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine?
The InChIKey is FEUKAYBCGCRPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H2F11N/c18-3-1-4(6-8(19)12(23)16(27)13(24)9(6)20)29-5(2-3)7-10(21)14(25)17(28)15(26)11(7)22/h1-2H.
What are the key properties of 4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine?
4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine has a molecular weight of 429.19 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-bis(2,3,4,5,6-pentafluorophenyl)pyridine is sourced from PubChem (CID 133088605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).