CAS 861210-71-1

2-Methyl-4-(3-nitro-2-pyridinyl)-1,3,4-benzoxadiazepin-5(4H)-one

Description:

2-Methyl-4-(3-nitro-2-pyridinyl)-1,3,4-benzoxadiazepin-5(4H)-one is a chemical compound characterized by its complex structure, which includes a benzodiazepine core fused with a benzoxadiazine moiety. This compound features a methyl group at the 2-position and a nitro-substituted pyridine ring at the 4-position, contributing to its unique chemical properties. It is typically classified as a heterocyclic compound due to the presence of nitrogen atoms in its ring structure. The presence of the nitro group may impart specific reactivity and biological activity, making it of interest in medicinal chemistry. The compound's molecular structure suggests potential applications in pharmaceuticals, particularly in the development of drugs targeting neurological or psychiatric conditions. Its solubility, stability, and reactivity can vary based on environmental conditions and the presence of other chemical entities. As with many synthetic organic compounds, safety and handling precautions are essential due to potential toxicity or reactivity.

Formula: C₁₄H₁₀N₄O₄

InChI: InChI=1S/C14H10N4O4/c1-9-16-17(13-11(18(20)21)6-4-8-15-13)14(19)10-5-2-3-7-12(10)22-9/h2-8H,1H3

InChI key: InChIKey=FDLMYIJTUPVQIP-UHFFFAOYSA-N

SMILES: O=C1N(N=C(C)OC=2C1=CC=CC2)C3=C(N(=O)=O)C=CC=N3

Synonyms:

• 2-Methyl-4-(3-nitro-2-pyridinyl)-1,3,4-benzoxadiazepin-5(4H)-one
• 1,3,4-Benzoxadiazepin-5(4H)-one, 2-methyl-4-(3-nitro-2-pyridinyl)-