5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one

C7H6F3NO2 — CID 53487794

IUPAC5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)cc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-1-4(3-12)2-11-6(5)13/h1-2,12H,3H2,(H,11,13)
InChIKeyUJZISNFXYWSPIS-UHFFFAOYSA-N
MW193.12 g/mol
LogP0.89
Rot. Bonds1

About 5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one

5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 53487794) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID53487794
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)cc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-1-4(3-12)2-11-6(5)13/h1-2,12H,3H2,(H,11,13)
InChIKeyUJZISNFXYWSPIS-UHFFFAOYSA-N
XLogP0.89
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(hydroxymethyl)-3-(trifluoromethyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 53487794) is 5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(CO)cc1C(F)(F)F.
What is the InChIKey of 5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is UJZISNFXYWSPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)5-1-4(3-12)2-11-6(5)13/h1-2,12H,3H2,(H,11,13).
What are the key properties of 5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 193.12 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 53487794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).