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

C12H3Cl5F3NO2 — CID 119019730

IUPAC4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(O)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H3Cl5F3NO2/c13-6-5(7(14)9(16)10(17)8(6)15)4-2(22)1-3(12(18,19)20)21-11(4)23/h1H,(H2,21,22,23)
InChIKeyQHZPKZINUJUDMB-UHFFFAOYSA-N
MW427.42 g/mol
LogP6.03
Rot. Bonds1

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

4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 119019730) has the molecular formula C12H3Cl5F3NO2 and a molecular weight of 427.42 g/mol. Its IUPAC name is 4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID119019730
Molecular FormulaC12H3Cl5F3NO2
Molecular Weight427.42 g/mol
Exact Mass424.86
IUPAC Name4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(O)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H3Cl5F3NO2/c13-6-5(7(14)9(16)10(17)8(6)15)4-2(22)1-3(12(18,19)20)21-11(4)23/h1H,(H2,21,22,23)
InChIKeyQHZPKZINUJUDMB-UHFFFAOYSA-N
XLogP6.03
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.42
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 119003936
4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 119004532
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
3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092174
3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092420
3-(2,6-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133092718

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 119019730) is 4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)cc(O)c1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QHZPKZINUJUDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3Cl5F3NO2/c13-6-5(7(14)9(16)10(17)8(6)15)4-2(22)1-3(12(18,19)20)21-11(4)23/h1H,(H2,21,22,23).
What are the key properties of 4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 427.42 g/mol, XLogP of 6.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 119019730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).