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

C12H16FNO3 — CID 54759289

IUPAC6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
SMILESO=c1cc(CO)c(F)c(C2CCCCC2)n1O
InChIInChI=1S/C12H16FNO3/c13-11-9(7-15)6-10(16)14(17)12(11)8-4-2-1-3-5-8/h6,8,15,17H,1-5,7H2
InChIKeySYJMSSBWPIRAGT-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.76
Rot. Bonds2

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

6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one (PubChem CID 54759289) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
PubChem CID54759289
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
SMILESO=c1cc(CO)c(F)c(C2CCCCC2)n1O
InChIInChI=1S/C12H16FNO3/c13-11-9(7-15)6-10(16)14(17)12(11)8-4-2-1-3-5-8/h6,8,15,17H,1-5,7H2
InChIKeySYJMSSBWPIRAGT-UHFFFAOYSA-N
XLogP1.76
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.76
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-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759291
6-Cyclohexyl-3-fluoro-1-hydroxy-2-oxopyridine-4-carboxylic acid
CID 54759479
2-Cyclohexyl-3-fluoro-1-hydroxy-6-oxopyridine-4-carboxylic acid
CID 54759481
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-4-(fluoromethyl)-1-hydroxypyridin-2-one
CID 54761662
6-Cyclohexyl-5-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one
CID 54761668
6-Cyclohexyl-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759283
6-cyclohexyl-4-(hydroxymethyl)-1H-pyridin-2-one
CID 70151012
6-Cyclohexyl-1-methoxy-4-methylpyridin-2-one;ethane;propane;propan-1-ol
CID 145081146
6-Cyclohexyl-1-(2-hydroxyethoxy)-4-methylpyridin-2-one
CID 167059141

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one (CID 54759289) is 6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one is O=c1cc(CO)c(F)c(C2CCCCC2)n1O.
What is the InChIKey of 6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
The InChIKey is SYJMSSBWPIRAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c13-11-9(7-15)6-10(16)14(17)12(11)8-4-2-1-3-5-8/h6,8,15,17H,1-5,7H2.
What are the key properties of 6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one?
6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one has a molecular weight of 241.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-fluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 54759289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).