4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C12H5Cl3F3NO2 — CID 119003936

IUPAC4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(O)c1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H5Cl3F3NO2/c13-4-1-5(10(15)6(14)2-4)9-7(20)3-8(12(16,17)18)19-11(9)21/h1-3H,(H2,19,20,21)
InChIKeyNJUXDOATRJCUOD-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.73
Rot. Bonds1

About 4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one

4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 119003936) has the molecular formula C12H5Cl3F3NO2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID119003936
Molecular FormulaC12H5Cl3F3NO2
Molecular Weight358.53 g/mol
Exact Mass356.93
IUPAC Name4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(O)c1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H5Cl3F3NO2/c13-4-1-5(10(15)6(14)2-4)9-7(20)3-8(12(16,17)18)19-11(9)21/h1-3H,(H2,19,20,21)
InChIKeyNJUXDOATRJCUOD-UHFFFAOYSA-N
XLogP4.73
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
CID 67610653
3-(4-chloro-2-fluorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
CID 125511072
3-(2,4-dichlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54719906
4-hydroxy-3-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 118991886
4-hydroxy-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 118993985
4-hydroxy-3-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 118996639
4-hydroxy-3-(2,3,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 119001151
4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 119004532
4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 119019730
3-(2,4,5-Trichlorophenyl)-6-(trifluoromethyl)pyridin-2(1H)-one
CID 133091410
3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091816
3-(2,3,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091819

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 119003936) is 4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)cc(O)c1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is NJUXDOATRJCUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO2/c13-4-1-5(10(15)6(14)2-4)9-7(20)3-8(12(16,17)18)19-11(9)21/h1-3H,(H2,19,20,21).
What are the key properties of 4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 358.53 g/mol, XLogP of 4.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 119003936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).