Cas no 102147-20-6 (2-Methyl-4-phenylnicotinonitrile)

2-Methyl-4-phenylnicotinonitrile is a versatile heterocyclic compound featuring a pyridine core substituted with a methyl group at the 2-position and a phenyl group at the 4-position, along with a nitrile functional group. This structure imparts reactivity useful in pharmaceutical and agrochemical synthesis, particularly as a building block for more complex molecules. Its nitrile group offers potential for further functionalization, enabling applications in medicinal chemistry, such as the development of kinase inhibitors or other bioactive agents. The compound’s stability and well-defined reactivity profile make it a valuable intermediate for researchers exploring novel heterocyclic frameworks. Proper handling and storage under inert conditions are recommended to maintain purity.
2-Methyl-4-phenylnicotinonitrile structure
102147-20-6 structure
Product Name:2-Methyl-4-phenylnicotinonitrile
CAS No:102147-20-6
MF:C13H10N2
MW:194.231902599335
MDL:MFCD01325607
CID:1088115
PubChem ID:3808725
Update Time:2025-06-09

2-Methyl-4-phenylnicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-4-phenylnicotinonitrile
    • 2-methyl-4-phenylnicotinonitrile(SALTDATA: FREE)
    • 2-methyl-4-phenylpyridine-3-carbonitrile
    • 3-cyano-2-methyl-4-phenylpyridine
    • 3-Pyridinecarbonitrile, 2-methyl-4-phenyl-
    • AC1MX22W
    • ACMC-20m55t
    • Ambcb4036820
    • CTK0G7773
    • MFCD01325607
    • SCHEMBL17971409
    • DB-193006
    • DTXSID90396722
    • 102147-20-6
    • BS-35597
    • CS-0444019
    • AKOS006343067
    • MDL: MFCD01325607
    • Inchi: 1S/C13H10N2/c1-10-13(9-14)12(7-8-15-10)11-5-3-2-4-6-11/h2-8H,1H3
    • InChI Key: ABIZYBUWUINJEP-UHFFFAOYSA-N
    • SMILES: N1C=CC(=C(C#N)C=1C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 194.0845
  • Monoisotopic Mass: 194.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 247
  • 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: 36.7?2

Experimental Properties

  • PSA: 36.68

2-Methyl-4-phenylnicotinonitrile Pricemore >>

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Additional information on 2-Methyl-4-phenylnicotinonitrile

Introduction to 2-Methyl-4-phenylnicotinonitrile (CAS No. 102147-20-6)

2-Methyl-4-phenylnicotinonitrile is a chemical compound with the CAS registry number 102147-20-6. This compound belongs to the class of nitriles and is derived from nicotinic acid, a derivative of pyridine. The structure of 2-Methyl-4-phenylnicotinonitrile consists of a pyridine ring substituted with a methyl group at position 2 and a phenyl group at position 4, with a nitrile group (-CN) attached to the nitrogen atom of the pyridine ring.

The synthesis of 2-Methyl-4-phenylnicotinonitrile typically involves multi-step organic reactions, including Friedel-Crafts alkylation or acylation, followed by nitrile substitution or introduction. The compound has been studied for its potential applications in various fields, including pharmacology, agrochemicals, and materials science.

Recent studies have highlighted the biological activity of 2-Methyl-4-phenylnicotinonitrile, particularly its role as a lead compound in drug discovery. Researchers have explored its antimicrobial properties, which could make it a candidate for developing new antibiotics or antifungal agents. Additionally, the compound has shown promise in pesticide development, where it exhibits selective toxicity against agricultural pests without significant harm to non-target organisms.

In the field of materials science, 2-Methyl-4-phenylnicotinonitrile has been investigated for its potential as a building block in the synthesis of advanced materials, such as coordination polymers and metal-organic frameworks (MOFs). Its ability to coordinate with metal ions makes it a valuable component in constructing porous materials with applications in gas storage and catalysis.

The compound's chemical stability and reactivity make it an attractive substrate for further functionalization. For instance, researchers have explored its use in click chemistry reactions, where it serves as a precursor for constructing complex molecules with tailored properties. These studies underscore the versatility of 2-Methyl-4-phenylnicotinonitrile in both academic research and industrial applications.

From an environmental perspective, the degradation pathways of 2-Methyl-4-phenylnicotinonitrile have been studied to assess its potential impact on ecosystems. Research indicates that under certain conditions, the compound undergoes biodegradation, reducing its persistence in the environment. This information is crucial for evaluating its safety and sustainability in large-scale applications.

In summary, 2-Methyl-4-phenylnicotinonitrile (CAS No. 102147-20-6) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties and biological activity make it a valuable subject for ongoing research and development efforts.

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