Cas no 152684-17-8 (Pyridine, 3-methoxy-2-nitro-5-phenyl-)

Pyridine, 3-methoxy-2-nitro-5-phenyl-, is a nitro-substituted pyridine derivative featuring a methoxy group at the 3-position and a phenyl ring at the 5-position. This compound is of interest in synthetic organic chemistry due to its versatile reactivity, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The electron-withdrawing nitro group and electron-donating methoxy substituent create a polarized structure, enabling selective functionalization. Its phenyl moiety further enhances potential applications in ligand design or as a building block for heterocyclic frameworks. The compound’s well-defined substitution pattern offers controlled reactivity for targeted synthetic modifications.
Pyridine, 3-methoxy-2-nitro-5-phenyl- structure
152684-17-8 structure
Product Name:Pyridine, 3-methoxy-2-nitro-5-phenyl-
CAS No:152684-17-8
MF:C12H10N2O3
MW:230.21940279007
MDL:MFCD14702083
CID:1326263
PubChem ID:11107145
Update Time:2025-10-11

Pyridine, 3-methoxy-2-nitro-5-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 3-methoxy-2-nitro-5-phenyl-
    • 3-methoxy-2-nitro-5-phenylpyridine
    • Pyridine,3-methoxy-2-nitro-5-phenyl-
    • AKOS026674225
    • Y10571
    • DTXSID501295542
    • CGA68417
    • CS-B1199
    • 152684-17-8
    • MDL: MFCD14702083
    • Inchi: 1S/C12H10N2O3/c1-17-11-7-10(8-13-12(11)14(15)16)9-5-3-2-4-6-9/h2-8H,1H3
    • InChI Key: UXWPNGMIGIILCY-UHFFFAOYSA-N
    • SMILES: O(C)C1=C([N+](=O)[O-])N=CC(=C1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 230.0692
  • Monoisotopic Mass: 230.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 261
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 67.9?2

Experimental Properties

  • PSA: 65.26

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Additional information on Pyridine, 3-methoxy-2-nitro-5-phenyl-

Pyridine, 3-Methoxy-2-Nitro-5-Phenyl: A Comprehensive Overview

Pyridine, 3-methoxy-2-nitro-5-phenyl (CAS No. 152684-17-8) is a complex organic compound with a unique structure that has garnered significant attention in various fields of chemistry and materials science. This compound belongs to the pyridine family, which is a six-membered aromatic heterocycle containing one nitrogen atom. The presence of substituents such as the methoxy group at position 3, the nitro group at position 2, and the phenyl group at position 5 imparts distinctive chemical properties and reactivity to this molecule.

The synthesis of pyridine, 3-methoxy-2-nitro-5-phenyl involves a series of carefully controlled reactions, often utilizing advanced methodologies such as nucleophilic aromatic substitution or coupling reactions. Recent studies have highlighted the potential of this compound in drug design, where its structural features make it a promising candidate for targeting specific biological pathways. For instance, researchers have explored its ability to inhibit certain enzymes involved in neurodegenerative diseases, showcasing its potential in therapeutic applications.

In addition to its pharmacological applications, pyridine, 3-methoxy-2-nitro-5-phenyl has also found relevance in materials science. Its electronic properties make it a suitable candidate for use in organic semiconductors and optoelectronic devices. Recent advancements in computational chemistry have enabled scientists to predict the electronic behavior of this compound with greater accuracy, facilitating its integration into next-generation materials.

The structural integrity of pyridine, 3-methoxy-2-nitro-5-phenyl is further enhanced by the steric and electronic effects of its substituents. The methoxy group introduces electron-donating effects, while the nitro group exerts electron-withdrawing effects. This balance of electronic interactions contributes to the compound's stability and reactivity under various conditions. Furthermore, the phenyl group at position 5 enhances the molecule's aromaticity and planarity, which are critical for its performance in electronic applications.

Recent research has also focused on the environmental impact of pyridine, 3-methoxy-2-nitro-5-phenyl and its degradation pathways. Studies have shown that under specific environmental conditions, this compound can undergo biodegradation or photodegradation, reducing its persistence in ecosystems. These findings are crucial for assessing its safety profile and ensuring sustainable practices in its production and application.

In conclusion, pyridine, 3-methoxy-2-nitro-5-phenyl (CAS No. 152684-17-8) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique structure and chemical properties continue to drive innovative research, positioning it as a key player in the development of novel drugs and advanced materials. As scientific understanding of this compound deepens, it is likely to play an even more significant role in addressing global challenges in health and technology.

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