3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one

C13H9ClF3NO2 — CID 54734219

IUPAC3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCn1c(C(F)(F)F)cc(O)c(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H9ClF3NO2/c1-18-10(13(15,16)17)6-9(19)11(12(18)20)7-2-4-8(14)5-3-7/h2-6,19H,1H3
InChIKeyLOHSCGXHWNOFMM-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.43
Rot. Bonds1

About 3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one

3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 54734219) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID54734219
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Name3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCn1c(C(F)(F)F)cc(O)c(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H9ClF3NO2/c1-18-10(13(15,16)17)6-9(19)11(12(18)20)7-2-4-8(14)5-3-7/h2-6,19H,1H3
InChIKeyLOHSCGXHWNOFMM-UHFFFAOYSA-N
XLogP3.43
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-fluorobenzyl)-1-cyclopropyl-4-hydroxy-2(1H)-pyridinone
CID 54696639
3-(2,4-dichlorobenzyl)-4-hydroxy-1-(2,2,2-trifluoroethyl)-2(1H)-pyridinone
CID 54695991
1-[2-(4-Chlorophenyl)-2-oxoethyl]-3-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 2746342
1-allyl-3-(4-chlorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54686742
3-(4-chlorobenzyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2(1H)-pyridinone
CID 54695990
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-(2-propynyl)-2(1H)-pyridinone
CID 54703882
3-(3-chlorophenyl)-4-hydroxy-6-isobutyl-1H-pyridin-2-one
CID 76284762
3-(2-chlorophenyl)-4-hydroxy-6-isobutyl-1H-pyridin-2-one
CID 90221075
2(1H)-Pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-5-methyl-
CID 3007390
3-(4-chlorobenzyl)-4-hydroxy-1-propyl-2(1H)-pyridinone
CID 54710104
3-(4-chlorobenzyl)-4-hydroxy-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 54680136
3-(4-chlorophenyl)-4-hydroxy-6-isobutyl-1H-pyridin-2-one
CID 127038059

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one (CID 54734219) is 3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one is Cn1c(C(F)(F)F)cc(O)c(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is LOHSCGXHWNOFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c1-18-10(13(15,16)17)6-9(19)11(12(18)20)7-2-4-8(14)5-3-7/h2-6,19H,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one?
3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 303.67 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-hydroxy-1-methyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 54734219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).