2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one

C12H5Cl3F3NO — CID 133091420

IUPAC2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cc(Cl)c(Cl)cc2Cl)c1C(F)(F)F
InChIInChI=1S/C12H5Cl3F3NO/c13-6-4-8(15)7(14)3-5(6)11-10(12(16,17)18)9(20)1-2-19-11/h1-4H,(H,19,20)
InChIKeyFGDQRMLSOGLYDB-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.02
Rot. Bonds1

About 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one

2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 133091420) has the molecular formula C12H5Cl3F3NO and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID133091420
Molecular FormulaC12H5Cl3F3NO
Molecular Weight342.53 g/mol
Exact Mass340.94
IUPAC Name2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cc(Cl)c(Cl)cc2Cl)c1C(F)(F)F
InChIInChI=1S/C12H5Cl3F3NO/c13-6-4-8(15)7(14)3-5(6)11-10(12(16,17)18)9(20)1-2-19-11/h1-4H,(H,19,20)
InChIKeyFGDQRMLSOGLYDB-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_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118816068
2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133092470
3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118844206
3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 133092058
2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091724
4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133092866
2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 133088846
3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 133092476
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091414
2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118990546
3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091398
2-[4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 130769264

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one (CID 133091420) is 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc[nH]c(-c2cc(Cl)c(Cl)cc2Cl)c1C(F)(F)F.
What is the InChIKey of 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is FGDQRMLSOGLYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO/c13-6-4-8(15)7(14)3-5(6)11-10(12(16,17)18)9(20)1-2-19-11/h1-4H,(H,19,20).
What are the key properties of 2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one?
2-(2,4,5-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-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 133091420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).