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

C12H6Cl2F3NO — CID 15457186

IUPAC3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl2F3NO/c13-6-1-2-7(9(14)5-6)8-3-4-10(12(15,16)17)18-11(8)19/h1-5H,(H,18,19)
InChIKeyTVOAOAITXZFNDI-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.37
Rot. Bonds1

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

3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 15457186) has the molecular formula C12H6Cl2F3NO and a molecular weight of 308.09 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID15457186
Molecular FormulaC12H6Cl2F3NO
Molecular Weight308.09 g/mol
Exact Mass306.98
IUPAC Name3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl2F3NO/c13-6-1-2-7(9(14)5-6)8-3-4-10(12(15,16)17)18-11(8)19/h1-5H,(H,18,19)
InChIKeyTVOAOAITXZFNDI-UHFFFAOYSA-N
XLogP4.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 70695096
3-(2,4-dichlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54719906
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-(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-(2,4-Dichlorophenyl)-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365495
3-(4-chlorophenyl)-4-hydroxy-6-(trifluoromethyl)-1H-pyridin-2-one
CID 67610653
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 70420044
N-[2-(2,4-dichlorophenyl)cyclobuten-1-yl]-2-(trifluoromethyl)benzamide
CID 117800767
N-buta-1,3-dien-2-yl-4-chloro-3-(trifluoromethyl)benzamide
CID 122521197

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 15457186) is 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)ccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is TVOAOAITXZFNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO/c13-6-1-2-7(9(14)5-6)8-3-4-10(12(15,16)17)18-11(8)19/h1-5H,(H,18,19).
What are the key properties of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 308.09 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 15457186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).