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

C12H5Cl3F3NO — CID 133092470

IUPAC2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccc(Cl)c(Cl)c2Cl)c1C(F)(F)F
InChIInChI=1S/C12H5Cl3F3NO/c13-6-2-1-5(9(14)10(6)15)11-8(12(16,17)18)7(20)3-4-19-11/h1-4H,(H,19,20)
InChIKeyJYIXFABFLLDESF-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.02
Rot. Bonds1

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

2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 133092470) has the molecular formula C12H5Cl3F3NO and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID133092470
Molecular FormulaC12H5Cl3F3NO
Molecular Weight342.53 g/mol
Exact Mass340.94
IUPAC Name2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2ccc(Cl)c(Cl)c2Cl)c1C(F)(F)F
InChIInChI=1S/C12H5Cl3F3NO/c13-6-2-1-5(9(14)10(6)15)11-8(12(16,17)18)7(20)3-4-19-11/h1-4H,(H,19,20)
InChIKeyJYIXFABFLLDESF-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

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091420
2-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118816068
3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 133092058
3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092420
4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092429
4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133092866
3-(2,3,6-trichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133091817
3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118844206
2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 130769264
3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 133092476
3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130089679
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one (CID 133092470) is 2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc[nH]c(-c2ccc(Cl)c(Cl)c2Cl)c1C(F)(F)F.
What is the InChIKey of 2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is JYIXFABFLLDESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO/c13-6-2-1-5(9(14)10(6)15)11-8(12(16,17)18)7(20)3-4-19-11/h1-4H,(H,19,20).
What are the key properties of 2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
2-(2,3,4-trichlorophenyl)-3-(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 2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 133092470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).