6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C13H10F3NO2 — CID 133091897

IUPAC6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cccc(C(F)(F)F)c2)c(CO)[nH]1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)9-3-1-2-8(6-9)10-4-5-12(19)17-11(10)7-18/h1-6,18H,7H2,(H,17,19)
InChIKeyGTKRORFZGDUTCK-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.55
Rot. Bonds2

About 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one

6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 133091897) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID133091897
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cccc(C(F)(F)F)c2)c(CO)[nH]1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)9-3-1-2-8(6-9)10-4-5-12(19)17-11(10)7-18/h1-6,18H,7H2,(H,17,19)
InChIKeyGTKRORFZGDUTCK-UHFFFAOYSA-N
XLogP2.55
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-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

5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid
CID 70280706
N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 122476023
3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 10682335
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557
2-[2-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 122476365
3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
2-methyl-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propanoic acid
CID 105424032
2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile
CID 133092012

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 133091897) is 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2cccc(C(F)(F)F)c2)c(CO)[nH]1.
What is the InChIKey of 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is GTKRORFZGDUTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)9-3-1-2-8(6-9)10-4-5-12(19)17-11(10)7-18/h1-6,18H,7H2,(H,17,19).
What are the key properties of 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 269.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 133091897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).