3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one

C12H5Cl3F3NO — CID 133092476

IUPAC3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)(F)F)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H5Cl3F3NO/c13-5-3-6(14)9(7(15)4-5)10-8(20)1-2-19-11(10)12(16,17)18/h1-4H,(H,19,20)
InChIKeyZSEKBJIEDQKHCV-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.02
Rot. Bonds1

About 3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one

3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 133092476) has the molecular formula C12H5Cl3F3NO and a molecular weight of 342.53 g/mol. Its IUPAC name is 3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID133092476
Molecular FormulaC12H5Cl3F3NO
Molecular Weight342.53 g/mol
Exact Mass340.94
IUPAC Name3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)(F)F)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H5Cl3F3NO/c13-5-3-6(14)9(7(15)4-5)10-8(20)1-2-19-11(10)12(16,17)18/h1-4H,(H,19,20)
InChIKeyZSEKBJIEDQKHCV-UHFFFAOYSA-N
XLogP5.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118844206
2-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118816068
3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
CID 69022654
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88671034
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091420
2-[2-oxo-3-(2,4,6-trichlorophenyl)-1H-pyridin-4-yl]acetonitrile
CID 133092382
3-fluoro-2-(trifluoromethyl)-1H-pyrrole
CID 175283071
2-(3,5-dichlorophenyl)-3-methyl-1H-pyridin-4-one
CID 118802676
2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133092470
3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130089679
3-(2,3,6-trichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133091817
8-bromo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 130131648

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one (CID 133092476) is 3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc[nH]c(C(F)(F)F)c1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is ZSEKBJIEDQKHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO/c13-5-3-6(14)9(7(15)4-5)10-8(20)1-2-19-11(10)12(16,17)18/h1-4H,(H,19,20).
What are the key properties of 3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 342.53 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 133092476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).