2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile

C25H6F9N3 — CID 169021885

IUPAC2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2c(F)cc(F)cc2F)nc(-c2c(F)cc(F)cc2F)c(C#N)c1-c1c(F)cc(F)cc1F
InChIInChI=1S/C25H6F9N3/c26-9-1-14(29)21(15(30)2-9)20-12(7-35)24(22-16(31)3-10(27)4-17(22)32)37-25(13(20)8-36)23-18(33)5-11(28)6-19(23)34/h1-6H
InChIKeyKWWXYVKFVDLRPZ-UHFFFAOYSA-N
MW519.33 g/mol
LogP7.08
Rot. Bonds3

About 2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile

2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile (PubChem CID 169021885) has the molecular formula C25H6F9N3 and a molecular weight of 519.33 g/mol. Its IUPAC name is 2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile
PubChem CID169021885
Molecular FormulaC25H6F9N3
Molecular Weight519.33 g/mol
Exact Mass519.04
IUPAC Name2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2c(F)cc(F)cc2F)nc(-c2c(F)cc(F)cc2F)c(C#N)c1-c1c(F)cc(F)cc1F
InChIInChI=1S/C25H6F9N3/c26-9-1-14(29)21(15(30)2-9)20-12(7-35)24(22-16(31)3-10(27)4-17(22)32)37-25(13(20)8-36)23-18(33)5-11(28)6-19(23)34/h1-6H
InChIKeyKWWXYVKFVDLRPZ-UHFFFAOYSA-N
XLogP7.08
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.33
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tris(3-cyano-5-fluorophenyl)pyridine-3,5-dicarbonitrile
CID 169021886
4-(2,4-difluoro-6-methoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168589430
2,4-diamino-6-(2-bromo-3,5-difluorophenyl)pyrimidine-5-carbonitrile
CID 169396365
4-fluoropyridine-2,6-dicarbonitrile
CID 175672759
(2Z)-2-[(20E)-20-[cyano(isocyano)methylidene]-5,7,15,17-tetrafluoro-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-10-ylidene]-2-isocyanoacetonitrile
CID 58012966
2-chloro-4-methyl-3-(2,4,6-trifluorophenyl)imidazo[1,5-a]pyrimidine-8-carbonitrile
CID 87887901
2,3,5-trifluorobenzonitrile
CID 2776998
2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729474
2,4-difluoro-6-nitrobenzonitrile
CID 119017167
2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004638
4-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168588839
2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119004602

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile (CID 169021885) is 2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile is N#Cc1c(-c2c(F)cc(F)cc2F)nc(-c2c(F)cc(F)cc2F)c(C#N)c1-c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is KWWXYVKFVDLRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H6F9N3/c26-9-1-14(29)21(15(30)2-9)20-12(7-35)24(22-16(31)3-10(27)4-17(22)32)37-25(13(20)8-36)23-18(33)5-11(28)6-19(23)34/h1-6H.
What are the key properties of 2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile?
2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 519.33 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,4,6-trifluorophenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169021885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).