4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C12H5Cl2F4NO — CID 139829449

IUPAC4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(Cl)c1-c1ccc(Cl)cc1F
InChIInChI=1S/C12H5Cl2F4NO/c13-5-1-2-6(8(15)3-5)10-7(14)4-9(12(16,17)18)19-11(10)20/h1-4H,(H,19,20)
InChIKeyJPRRYUMRGNZKTG-UHFFFAOYSA-N
MW326.08 g/mol
LogP4.51
Rot. Bonds1

About 4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one

4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 139829449) has the molecular formula C12H5Cl2F4NO and a molecular weight of 326.08 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID139829449
Molecular FormulaC12H5Cl2F4NO
Molecular Weight326.08 g/mol
Exact Mass324.97
IUPAC Name4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)cc(Cl)c1-c1ccc(Cl)cc1F
InChIInChI=1S/C12H5Cl2F4NO/c13-5-1-2-6(8(15)3-5)10-7(14)4-9(12(16,17)18)19-11(10)20/h1-4H,(H,19,20)
InChIKeyJPRRYUMRGNZKTG-UHFFFAOYSA-N
XLogP4.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.08
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-Chlorophenyl)-3-methyl-5-methylidenepyrrol-2-one
CID 155560009
4-(4-chloro-phenyl)-6-trifluoromethyl-1H-pyridin-2-one
CID 57468634
2-(4-chloro-2-fluorophenyl)-N-(1,1-dimethylpropyl)acetamide
CID 56922709
6-(4-chloro-phenyl)-4-trifluoromethyl-1H-pyridin-2-one
CID 11119266
3-(4-chloro-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 15457048
3-(2,4-dichlorophenyl)-1-difluoromethyl-6-methyl-2(1H)-pyridone
CID 15457049
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-chloro-2-fluoro-5-methylphenyl)-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 15457188
3-(4-chlorophenyl)-4-chloro-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 18408343
3-(4-chlorophenyl)-4-fluoro-1-methyl-6-trifluoromethyl-2(1H)-pyridone
CID 18408346
3-(4-Chloro-2-fluorophenyl)-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365499

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 139829449) is 4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)cc(Cl)c1-c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JPRRYUMRGNZKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F4NO/c13-5-1-2-6(8(15)3-5)10-7(14)4-9(12(16,17)18)19-11(10)20/h1-4H,(H,19,20).
What are the key properties of 4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 326.08 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 139829449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).