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

C12H16FNO2 — CID 54759677

IUPAC6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(C2(F)CCCCC2)n(O)c(=O)c1
InChIInChI=1S/C12H16FNO2/c1-9-7-10(14(16)11(15)8-9)12(13)5-3-2-4-6-12/h7-8,16H,2-6H2,1H3
InChIKeyZXGYIZPADMTHQQ-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.52
Rot. Bonds1

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

6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one (PubChem CID 54759677) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
PubChem CID54759677
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
SMILESCc1cc(C2(F)CCCCC2)n(O)c(=O)c1
InChIInChI=1S/C12H16FNO2/c1-9-7-10(14(16)11(15)8-9)12(13)5-3-2-4-6-12/h7-8,16H,2-6H2,1H3
InChIKeyZXGYIZPADMTHQQ-UHFFFAOYSA-N
XLogP2.52
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one (CID 54759677) is 6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one is Cc1cc(C2(F)CCCCC2)n(O)c(=O)c1.
What is the InChIKey of 6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is ZXGYIZPADMTHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9-7-10(14(16)11(15)8-9)12(13)5-3-2-4-6-12/h7-8,16H,2-6H2,1H3.
What are the key properties of 6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one?
6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 225.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 54759677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).