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

C12H6Cl2F3NO2 — CID 133092819

IUPAC3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl2F3NO2/c13-6-2-1-5(3-7(6)14)10-8(19)4-9(12(15,16)17)18-11(10)20/h1-4H,(H2,18,19,20)
InChIKeyFHSKXIVXKIVSLK-UHFFFAOYSA-N
MW324.09 g/mol
LogP4.07
Rot. Bonds1

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

3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 133092819) has the molecular formula C12H6Cl2F3NO2 and a molecular weight of 324.09 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID133092819
Molecular FormulaC12H6Cl2F3NO2
Molecular Weight324.09 g/mol
Exact Mass322.97
IUPAC Name3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl2F3NO2/c13-6-2-1-5(3-7(6)14)10-8(19)4-9(12(15,16)17)18-11(10)20/h1-4H,(H2,18,19,20)
InChIKeyFHSKXIVXKIVSLK-UHFFFAOYSA-N
XLogP4.07
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-4-hydroxy-6-isobutyl-1H-pyridin-2-one
CID 76284762
3-(4-chlorophenyl)-4-hydroxy-6-isobutyl-1H-pyridin-2-one
CID 127038059
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
3-(4-chlorophenyl)-4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 141960708
4-Hydroxy-6-methyl-3-(2-chlorophenyl)-2(1H)-pyridinone
CID 54719903
4-Hydroxy-6-methyl-3-(3-chlorophenyl)-2(1H)-pyridinone
CID 54719904
3-(4-chlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54719905
3-(2,4-dichlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54719906

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one (CID 133092819) is 3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)cc(O)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FHSKXIVXKIVSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO2/c13-6-2-1-5(3-7(6)14)10-8(19)4-9(12(15,16)17)18-11(10)20/h1-4H,(H2,18,19,20).
What are the key properties of 3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 324.09 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).