6-pyrazol-1-ylpyridine-3-carbonitrile


Chemical Name: 6-pyrazol-1-ylpyridine-3-carbonitrile
CAS Number: 956568-52-8
Product Number: AG006C8U(AGN-PC-00UXFV)
Synonyms:
MDL No:
Molecular Formula: C9H6N4
Molecular Weight: 170.1707

Identification/Properties


Properties
BP:
336.437°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
170.175g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
170.059g/mol
Monoisotopic Mass:
170.059g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
219
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Pyridinecarbonitrile, 6-(1H-pyrazol-1-yl)- is a versatile compound that finds important applications in chemical synthesis. This compound serves as a valuable building block in the creation of various organic molecules with diverse functionalities. Its unique structure containing both a pyridine and a pyrazole ring allows for the formation of complex structures through strategic chemical transformations.One notable application of 3-Pyridinecarbonitrile, 6-(1H-pyrazol-1-yl)- is in the synthesis of pharmaceutical compounds. Its presence in the molecular structure of certain drugs can impart desirable pharmacological properties or improve the overall efficacy of the drug. By incorporating this compound into drug synthesis, chemists can explore new avenues for drug discovery and development.Furthermore, 3-Pyridinecarbonitrile, 6-(1H-pyrazol-1-yl)- is often employed in the preparation of agrochemicals and specialty chemicals. Its reactivity and structural features make it a valuable intermediate for the synthesis of compounds used in agriculture, industry, and research. Chemists utilize this compound as a key starting material to access a wide range of chemical derivatives with tailored properties for specific applications.In addition, the chemical versatility of 3-Pyridinecarbonitrile, 6-(1H-pyrazol-1-yl)- makes it a valuable tool in material science and organic synthesis. Researchers can leverage its unique structure to design novel materials with targeted properties, such as luminescent dyes, molecular sensors, or advanced polymers. Through creative chemical manipulations, this compound opens up avenues for innovation and discovery in various scientific fields.