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

C12H5Cl3F3NO2 — CID 119004532

IUPAC4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(O)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H5Cl3F3NO2/c13-4-1-5(14)9(6(15)2-4)10-7(20)3-8(12(16,17)18)19-11(10)21/h1-3H,(H2,19,20,21)
InChIKeyDABRRTWBYIHYTG-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.73
Rot. Bonds1

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

4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 119004532) has the molecular formula C12H5Cl3F3NO2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID119004532
Molecular FormulaC12H5Cl3F3NO2
Molecular Weight358.53 g/mol
Exact Mass356.93
IUPAC Name4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(O)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H5Cl3F3NO2/c13-4-1-5(14)9(6(15)2-4)10-7(20)3-8(12(16,17)18)19-11(10)21/h1-3H,(H2,19,20,21)
InChIKeyDABRRTWBYIHYTG-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

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Related Compounds

3-(2,4-dichlorobenzyl)-4-hydroxy-1-(2,2,2-trifluoroethyl)-2(1H)-pyridinone
CID 54695991
3-(2-chlorophenyl)-4-hydroxy-6-isobutyl-1H-pyridin-2-one
CID 90221075
3-(4-chlorophenyl)-4-hydroxy-6-isobutyl-1H-pyridin-2-one
CID 127038059
1-amino-3-(2,4-dichlorophenyl)-6-trifluoromethyl-2(1H)-pyridone
CID 15457050
3-(2,4-dichlorophenyl)-6-trifluoromethyl-2(1H)-pyridone
CID 15457186
3-(4-Chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 54734219
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
4-chloro-3-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 139797653
4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 139829449
5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one
CID 141455310
3-(4-chlorophenyl)-4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 141960708

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 119004532) is 4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)cc(O)c1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is DABRRTWBYIHYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO2/c13-4-1-5(14)9(6(15)2-4)10-7(20)3-8(12(16,17)18)19-11(10)21/h1-3H,(H2,19,20,21).
What are the key properties of 4-hydroxy-3-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
4-hydroxy-3-(2,4,6-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-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 119004532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).