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

C12H6Cl2F3NO — CID 133092866

IUPAC4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(-c2ccc(Cl)c(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C12H6Cl2F3NO/c13-8-2-1-6(5-9(8)14)7-3-4-18-11(19)10(7)12(15,16)17/h1-5H,(H,18,19)
InChIKeyKXZIGHKFLVRGSF-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.37
Rot. Bonds1

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

4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 133092866) has the molecular formula C12H6Cl2F3NO and a molecular weight of 308.09 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID133092866
Molecular FormulaC12H6Cl2F3NO
Molecular Weight308.09 g/mol
Exact Mass306.98
IUPAC Name4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(-c2ccc(Cl)c(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C12H6Cl2F3NO/c13-8-2-1-6(5-9(8)14)7-3-4-18-11(19)10(7)12(15,16)17/h1-5H,(H,18,19)
InChIKeyKXZIGHKFLVRGSF-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

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Related Compounds

2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091420
5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 122358498
1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134627973
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
2-(3,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118842069
2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133092470
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
3-(3,4-dichlorophenyl)-6-methyl-1H-pyridin-2-one
CID 133092861
3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
4-(3,4-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092863
2-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118816068
3-(2,3,6-trichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133091817

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 133092866) is 4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]ccc(-c2ccc(Cl)c(Cl)c2)c1C(F)(F)F.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is KXZIGHKFLVRGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO/c13-8-2-1-6(5-9(8)14)7-3-4-18-11(19)10(7)12(15,16)17/h1-5H,(H,18,19).
What are the key properties of 4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
4-(3,4-dichlorophenyl)-3-(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 4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).