5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one

C12H8Cl2F3NO2 — CID 141455310

IUPAC5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1NC(C(F)(F)F)CC(O)=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2F3NO2/c13-5-1-2-6(7(14)3-5)10-8(19)4-9(12(15,16)17)18-11(10)20/h1-3,9,19H,4H2,(H,18,20)
InChIKeyLXOUHTWOFTZRPX-UHFFFAOYSA-N
MW326.10 g/mol
LogP3.71
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one

5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 141455310) has the molecular formula C12H8Cl2F3NO2 and a molecular weight of 326.10 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one
PubChem CID141455310
Molecular FormulaC12H8Cl2F3NO2
Molecular Weight326.10 g/mol
Exact Mass324.99
IUPAC Name5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1NC(C(F)(F)F)CC(O)=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2F3NO2/c13-5-1-2-6(7(14)3-5)10-8(19)4-9(12(15,16)17)18-11(10)20/h1-3,9,19H,4H2,(H,18,20)
InChIKeyLXOUHTWOFTZRPX-UHFFFAOYSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.10
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorobenzyl)-4-hydroxy-1-(2,2,2-trifluoroethyl)-2(1H)-pyridinone
CID 54695991
2-(2,4-dichlorophenyl)-N-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 122189983
3-(2,4-Dichlorophenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 145959604
N-cyclopropyl-2-(2,4-dichlorophenyl)acetamide
CID 4805968
2-(2,4-dichlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 24398989
2-(2,4-dichlorophenyl)-1-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 54733308
(3S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53341282
3-[[2-(2,4-Dichlorophenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 67362401
3-(2,4-Dichlorophenyl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 89969258
2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)acetamide
CID 119104706
4-(4-Chlorophenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,2-dihydropyrrol-5-one
CID 141733336
2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 142643393

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one (CID 141455310) is 5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one is O=C1NC(C(F)(F)F)CC(O)=C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is LXOUHTWOFTZRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3NO2/c13-5-1-2-6(7(14)3-5)10-8(19)4-9(12(15,16)17)18-11(10)20/h1-3,9,19H,4H2,(H,18,20).
What are the key properties of 5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one?
5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 326.10 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-4-hydroxy-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 141455310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).