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

C12HF10N — CID 133088650

IUPAC2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)nc(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12HF10N/c13-2-1-3(12(20,21)22)23-11(19)4(2)5-6(14)8(16)10(18)9(17)7(5)15/h1H
InChIKeyLXWHTWNDWLHVHJ-UHFFFAOYSA-N
MW349.13 g/mol
LogP4.74
Rot. Bonds1

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

2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine (PubChem CID 133088650) has the molecular formula C12HF10N and a molecular weight of 349.13 g/mol. Its IUPAC name is 2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine
PubChem CID133088650
Molecular FormulaC12HF10N
Molecular Weight349.13 g/mol
Exact Mass348.99
IUPAC Name2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine
SMILESFc1cc(C(F)(F)F)nc(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12HF10N/c13-2-1-3(12(20,21)22)23-11(19)4(2)5-6(14)8(16)10(18)9(17)7(5)15/h1H
InChIKeyLXWHTWNDWLHVHJ-UHFFFAOYSA-N
XLogP4.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 54.74
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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Related Compounds

2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 118993970
2,3,4-trifluoro-6-(trifluoromethyl)pyridine
CID 46317997
2,4-difluoro-6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]pyridine
CID 118993536
2,3,5,6-tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazine
CID 58820640
2,4,6-tris(trifluoromethyl)pyridine
CID 14937918
2-fluoro-3,6-bis(trifluoromethyl)pyridine
CID 133095208
4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline
CID 43668790
4-chloro-5,6,8-trifluoro-2-(trifluoromethyl)quinoline
CID 62811306
3,5-difluoro-4-(2,3,4,5,6-pentafluorophenyl)aniline
CID 118991076
3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 133089927
2-fluoro-3-methyl-6-(trifluoromethyl)pyridine
CID 130253491
2-fluoro-4-methyl-6-(trifluoromethyl)pyridine
CID 89320814

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine (CID 133088650) is 2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine is Fc1cc(C(F)(F)F)nc(F)c1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is LXWHTWNDWLHVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF10N/c13-2-1-3(12(20,21)22)23-11(19)4(2)5-6(14)8(16)10(18)9(17)7(5)15/h1H.
What are the key properties of 2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine?
2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine has a molecular weight of 349.13 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 133088650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).