6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one

C12H15F2NO3 — CID 54759291

IUPAC6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
SMILESO=c1c(F)c(CO)c(F)c(C2CCCCC2)n1O
InChIInChI=1S/C12H15F2NO3/c13-9-8(6-16)10(14)12(17)15(18)11(9)7-4-2-1-3-5-7/h7,16,18H,1-6H2
InChIKeyWIXAGAIVUYNKFU-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.90
Rot. Bonds2

About 6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one

6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one (PubChem CID 54759291) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
PubChem CID54759291
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
SMILESO=c1c(F)c(CO)c(F)c(C2CCCCC2)n1O
InChIInChI=1S/C12H15F2NO3/c13-9-8(6-16)10(14)12(17)15(18)11(9)7-4-2-1-3-5-7/h7,16,18H,1-6H2
InChIKeyWIXAGAIVUYNKFU-UHFFFAOYSA-N
XLogP1.90
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Cyclohexyl-3-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759287
6-Cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759289
2-Cyclohexyl-3,5-difluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759483
6-Cyclohexyl-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760970
6-Cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one
CID 54761670
6-Cyclohexyl-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759283
6-Cyclohexyl-3-deuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759284
6-Cyclohexyl-5-deuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759285
6-Cyclohexyl-3,5-dideuterio-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759286
6-Cyclohexyl-5-deuterio-3-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759288
6-Cyclohexyl-3-deuterio-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759290
6-(1-Deuteriocyclohexyl)-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one
CID 54759484

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one (CID 54759291) is 6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one is O=c1c(F)c(CO)c(F)c(C2CCCCC2)n1O.
What is the InChIKey of 6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
The InChIKey is WIXAGAIVUYNKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c13-9-8(6-16)10(14)12(17)15(18)11(9)7-4-2-1-3-5-7/h7,16,18H,1-6H2.
What are the key properties of 6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one has a molecular weight of 259.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 54759291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).