5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

C13H10F3NO3 — CID 89475997

IUPAC5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESO=c1cc(C(O)C(F)(F)F)n(-c2ccccc2)cc1O
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)12(20)9-6-10(18)11(19)7-17(9)8-4-2-1-3-5-8/h1-7,12,19-20H
InChIKeyDWKWBDVALFKEAB-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.14
Rot. Bonds2

About 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (PubChem CID 89475997) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
PubChem CID89475997
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESO=c1cc(C(O)C(F)(F)F)n(-c2ccccc2)cc1O
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)12(20)9-6-10(18)11(19)7-17(9)8-4-2-1-3-5-8/h1-7,12,19-20H
InChIKeyDWKWBDVALFKEAB-UHFFFAOYSA-N
XLogP2.14
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-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

Hydroxy methylphenylpyridinone
CID 10397916
5-Hydroxy-2-methyl-1-phenylpyridin-4-one
CID 89475995
1-(4-Butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
CID 118736604
5-Hydroxy-2-(hydroxymethyl)-1-phenylpyridin-4(1H)-one
CID 12468238
3-Hydroxy-1-phenylpyridin-4-one
CID 69932581
5-hydroxy-2-[(N-methylanilino)methyl]pyran-4-one
CID 130407634
2-[(3-fluoro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407896
2-[(4-fluoro-N-methylanilino)methyl]-5-hydroxypyran-4-one
CID 130407903
5-Hydroxy-2-(hydroxymethyl)-1-(4-methylphenyl)pyridin-4-one
CID 13130143
1-(4-Fluorophenyl)-2-(hydroxymethyl)-5-methoxypyridin-4-one
CID 21792047
3-Hydroxy-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-methylpyridin-4-one;hydrochloride
CID 177656407
2-(Hydroxymethyl)-5-methoxy-1-phenylpyridin-4(1H)-one
CID 23278749

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (CID 89475997) is 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is O=c1cc(C(O)C(F)(F)F)n(-c2ccccc2)cc1O.
What is the InChIKey of 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The InChIKey is DWKWBDVALFKEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-13(15,16)12(20)9-6-10(18)11(19)7-17(9)8-4-2-1-3-5-8/h1-7,12,19-20H.
What are the key properties of 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one has a molecular weight of 285.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-phenyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 89475997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).