3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one

C12H15F2NO2 — CID 54759678

IUPAC3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(C2(F)CCCCC2)n(O)c(=O)c1F
InChIInChI=1S/C12H15F2NO2/c1-8-7-9(15(17)11(16)10(8)13)12(14)5-3-2-4-6-12/h7,17H,2-6H2,1H3
InChIKeySLUHFKJUMHCTAN-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.66
Rot. Bonds1

About 3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one

3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one (PubChem CID 54759678) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
PubChem CID54759678
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(C2(F)CCCCC2)n(O)c(=O)c1F
InChIInChI=1S/C12H15F2NO2/c1-8-7-9(15(17)11(16)10(8)13)12(14)5-3-2-4-6-12/h7,17H,2-6H2,1H3
InChIKeySLUHFKJUMHCTAN-UHFFFAOYSA-N
XLogP2.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ciclopirox
CID 2749
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
6-Cyclohexyl-1-hydroxypyridin-2-one
CID 25069320
6-Cyclopentyl-1-hydroxy-4-methylpyridin-2-one
CID 13590962
6-Cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
6-Cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one
CID 139553636
6-Cyclohexyl-1-ethoxy-4-methylpyridin-2-one
CID 144392814
6-Cyclohexyl-4-methyl-2-oxopyridin-1(2h)-yl acetate
CID 54759672
6-Cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
CID 54762032
6-(1-Fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
CID 54759677
6-Cyclohexyl-3-fluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760966
6-Cyclohexyl-5-fluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760968

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one (CID 54759678) is 3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one is Cc1cc(C2(F)CCCCC2)n(O)c(=O)c1F.
What is the InChIKey of 3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is SLUHFKJUMHCTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-8-7-9(15(17)11(16)10(8)13)12(14)5-3-2-4-6-12/h7,17H,2-6H2,1H3.
What are the key properties of 3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one?
3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 243.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 54759678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).