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

C12H5Cl3F3NO — CID 133092429

IUPAC4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2Cl)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C12H5Cl3F3NO/c13-7-2-1-6(10(14)11(7)15)5-3-8(12(16,17)18)19-9(20)4-5/h1-4H,(H,19,20)
InChIKeyYRNQNIPGYOSCSO-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.02
Rot. Bonds1

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

4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 133092429) has the molecular formula C12H5Cl3F3NO and a molecular weight of 342.53 g/mol. Its IUPAC name is 4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID133092429
Molecular FormulaC12H5Cl3F3NO
Molecular Weight342.53 g/mol
Exact Mass340.94
IUPAC Name4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2Cl)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C12H5Cl3F3NO/c13-7-2-1-6(10(14)11(7)15)5-3-8(12(16,17)18)19-9(20)4-5/h1-4H,(H,19,20)
InChIKeyYRNQNIPGYOSCSO-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

3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092420
4-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 138970595
4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one
CID 174358567
2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133092470
2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118842069
5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 43668071
8-chloro-5-iodo-2-(trifluoromethyl)-1H-quinolin-4-one
CID 114260850
1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene
CID 134620909
4-(2,5-dichlorophenyl)-6-methyl-1H-pyridin-2-one
CID 133092468
4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133092434
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029
3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636130

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 133092429) is 4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(-c2ccc(Cl)c(Cl)c2Cl)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is YRNQNIPGYOSCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO/c13-7-2-1-6(10(14)11(7)15)5-3-8(12(16,17)18)19-9(20)4-5/h1-4H,(H,19,20).
What are the key properties of 4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-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 4-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).