6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one

C12H13F4NO2 — CID 54762038

IUPAC6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(F)c(C2CCCCC2)n1O
InChIInChI=1S/C12H13F4NO2/c13-10-8(12(14,15)16)6-9(18)17(19)11(10)7-4-2-1-3-5-7/h6-7,19H,1-5H2
InChIKeyOGVIPYFTUQXMOM-UHFFFAOYSA-N
MW279.23 g/mol
LogP3.29
Rot. Bonds1

About 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one

6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one (PubChem CID 54762038) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
PubChem CID54762038
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC Name6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(F)c(C2CCCCC2)n1O
InChIInChI=1S/C12H13F4NO2/c13-10-8(12(14,15)16)6-9(18)17(19)11(10)7-4-2-1-3-5-7/h6-7,19H,1-5H2
InChIKeyOGVIPYFTUQXMOM-UHFFFAOYSA-N
XLogP3.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)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

Ciclopirox
CID 2749
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
6-Cyclohexyl-1-hydroxypyridin-2-one
CID 25069320
6-Cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
6-Cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
CID 54762032
6-(1-Fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
CID 54759677
3-Fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
CID 54759678
6-Cyclohexyl-3-fluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760966
6-Cyclohexyl-5-fluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760968
6-Cyclohexyl-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760970
6-Cyclohexyl-4-(fluoromethyl)-1-hydroxypyridin-2-one
CID 54761662
6-Cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one
CID 54761666

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one (CID 54762038) is 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one is O=c1cc(C(F)(F)F)c(F)c(C2CCCCC2)n1O.
What is the InChIKey of 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is OGVIPYFTUQXMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO2/c13-10-8(12(14,15)16)6-9(18)17(19)11(10)7-4-2-1-3-5-7/h6-7,19H,1-5H2.
What are the key properties of 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one?
6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 279.23 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-fluoro-1-hydroxy-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 54762038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).