2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine

C11H2F7N — CID 118991508

IUPAC2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESFc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(F)n1
InChIInChI=1S/C11H2F7N/c12-4-2-1-3(11(18)19-4)5-6(13)8(15)10(17)9(16)7(5)14/h1-2H
InChIKeyUHJXWGCLBQKNRR-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.72
Rot. Bonds1

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

2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine (PubChem CID 118991508) has the molecular formula C11H2F7N and a molecular weight of 281.13 g/mol. Its IUPAC name is 2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine
PubChem CID118991508
Molecular FormulaC11H2F7N
Molecular Weight281.13 g/mol
Exact Mass281.01
IUPAC Name2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESFc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(F)n1
InChIInChI=1S/C11H2F7N/c12-4-2-1-3(11(18)19-4)5-6(13)8(15)10(17)9(16)7(5)14/h1-2H
InChIKeyUHJXWGCLBQKNRR-UHFFFAOYSA-N
XLogP3.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine?
The IUPAC name of 2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine (CID 118991508) is 2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine.
What is the SMILES notation for 2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine?
The canonical SMILES for 2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine is Fc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(F)n1.
What is the InChIKey of 2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine?
The InChIKey is UHJXWGCLBQKNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2F7N/c12-4-2-1-3(11(18)19-4)5-6(13)8(15)10(17)9(16)7(5)14/h1-2H.
What are the key properties of 2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine?
2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine has a molecular weight of 281.13 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(2,3,4,5,6-pentafluorophenyl)pyridine is sourced from PubChem (CID 118991508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).