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CAS 1187055-95-3

:

5-Methyl-3-(3-nitro-4-pyridinyl)-2-cyclohexen-1-one

Description:
5-Methyl-3-(3-nitro-4-pyridinyl)-2-cyclohexen-1-one is an organic compound characterized by its unique structure, which includes a cyclohexenone moiety and a nitro-substituted pyridine ring. This compound typically exhibits a yellow to orange color due to the presence of conjugated systems, which can also influence its optical properties. It is likely to be soluble in organic solvents, such as ethanol and dimethyl sulfoxide, while being less soluble in water due to its hydrophobic cyclohexene component. The presence of the nitro group suggests potential reactivity, particularly in electrophilic substitution reactions. Additionally, the compound may exhibit biological activity, making it of interest in medicinal chemistry. Its molecular structure allows for various interactions, including hydrogen bonding and π-π stacking, which can affect its stability and reactivity. Overall, 5-Methyl-3-(3-nitro-4-pyridinyl)-2-cyclohexen-1-one is a compound of interest for further research in both synthetic and applied chemistry contexts.
Formula:C12H12N2O3
InChI:InChI=1S/C12H12N2O3/c1-8-4-9(6-10(15)5-8)11-2-3-13-7-12(11)14(16)17/h2-3,6-8H,4-5H2,1H3
InChI key:InChIKey=RHNNTVMBECGTHN-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C(C=2CC(C)CC(=O)C2)=CC=NC1
Synonyms:
  • 5-Methyl-3-(3-nitro-4-pyridinyl)-2-cyclohexen-1-one
  • 5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-en-1-one
  • 2-Cyclohexen-1-one, 5-methyl-3-(3-nitro-4-pyridinyl)-
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