2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one

C12H6Cl2F3NO — CID 118813726

IUPAC2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2Cl)[nH]cc1C(F)(F)F
InChIInChI=1S/C12H6Cl2F3NO/c13-6-1-2-7(9(14)3-6)10-4-11(19)8(5-18-10)12(15,16)17/h1-5H,(H,18,19)
InChIKeyVXEXULGQXJNJHO-UHFFFAOYSA-N
MW308.09 g/mol
LogP4.37
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one

2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118813726) has the molecular formula C12H6Cl2F3NO and a molecular weight of 308.09 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118813726
Molecular FormulaC12H6Cl2F3NO
Molecular Weight308.09 g/mol
Exact Mass306.98
IUPAC Name2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2Cl)[nH]cc1C(F)(F)F
InChIInChI=1S/C12H6Cl2F3NO/c13-6-1-2-7(9(14)3-6)10-4-11(19)8(5-18-10)12(15,16)17/h1-5H,(H,18,19)
InChIKeyVXEXULGQXJNJHO-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

3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one
CID 975254
3-chloro-5-[6-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847737
2-(4-chloro-3-fluorophenyl)-1H-pyridin-4-one
CID 58134347
2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide
CID 69155373
1-[(4-Chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
CID 134565262
2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 134565966
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-fluoro-2-methyl-1H-pyridine-4-carboxamide
CID 173496352
1-(2,4-Dichlorobenzyl)-1,4-dihydronicotinamide
CID 85972279
1-(2,4-Dichlorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarboxamide
CID 2764868
4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one
CID 2779392
4-[(3-Chlorobenzyl)amino]-1,1,1-trifluorobut-3-en-2-one
CID 5709077
(E)-4-[4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1,1,1-trifluorobut-3-en-2-one
CID 7021192

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one (CID 118813726) is 2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(-c2ccc(Cl)cc2Cl)[nH]cc1C(F)(F)F.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is VXEXULGQXJNJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NO/c13-6-1-2-7(9(14)3-6)10-4-11(19)8(5-18-10)12(15,16)17/h1-5H,(H,18,19).
What are the key properties of 2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-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 2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118813726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).