6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one

C12H15F2NO2 — CID 54759484

IUPAC6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one
SMILES[2H]C1(c2c(F)c(C)c(F)c(=O)n2O)CCCCC1
InChIInChI=1S/C12H15F2NO2/c1-7-9(13)11(8-5-3-2-4-6-8)15(17)12(16)10(7)14/h8,17H,2-6H2,1H3/i8D
InChIKeyZISPFOYZQOUIFS-BNEYPBHNSA-N
MW244.26 g/mol
LogP2.72
Rot. Bonds1

About 6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one

6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one (PubChem CID 54759484) has the molecular formula C12H15F2NO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one
PubChem CID54759484
Molecular FormulaC12H15F2NO2
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one
SMILES[2H]C1(c2c(F)c(C)c(F)c(=O)n2O)CCCCC1
InChIInChI=1S/C12H15F2NO2/c1-7-9(13)11(8-5-3-2-4-6-8)15(17)12(16)10(7)14/h8,17H,2-6H2,1H3/i8D
InChIKeyZISPFOYZQOUIFS-BNEYPBHNSA-N
XLogP2.72
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-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-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
6-Cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
CID 54762032
6-Cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759291
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-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one (CID 54759484) is 6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one is [2H]C1(c2c(F)c(C)c(F)c(=O)n2O)CCCCC1.
What is the InChIKey of 6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is ZISPFOYZQOUIFS-BNEYPBHNSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-7-9(13)11(8-5-3-2-4-6-8)15(17)12(16)10(7)14/h8,17H,2-6H2,1H3/i8D.
What are the key properties of 6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one?
6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 244.26 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 54759484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).