6-(2H11)cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-one

• ChemBase ID: 164751
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: On1c(cc(cc1=O)C)C1CCCCC1
• Canonical SMILES: Cc1cc(C2CCCCC2)n(c(=O)c1)O
• InChI: InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
• InChIKey: SCKYRAXSEDYPSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(^2H₁₁)cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 6-(^2H₁₁)cyclohexyl-1-hydroxy-4-methylpyridin-2-one
• Synonyms: (6-Cyclohexyl-d11)-1-hydroxy-4-methyl-2(1H)-pyridinone; Ciclopirox-d11

Database IDs

• PubChem SID: 162258886
• PubChem CID: 71314863

CALCULATED PROPERTIES

• Acid pKa: 6.8421407
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.197355
• LogD (pH = 7.4): 1.5591586
• Log P: 2.2165895
• Molar Refractivity: 60.9074 cm^3
• Polarizability: 22.719618 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White or Light-Yellow Powder
• Melting Point: 144°C

DETAILS

Toronto Research Chemicals - C432802

Broad spectrum antimycotic agent with some antibacterial activity.

REFERENCES

• Jue, S.G., et al.: Drugs, 29, 330 (1985)
• Starova, A., et al.: Expert Opin. Drug Saf., 4, 235 (1985)