2-Pyridinecarboxylic acid, 6-cyano-, ethyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 6-cyano-, ethyl ester
CAS Number: 97483-79-9
Product Number: AG006CEH(AGN-PC-00MHEB)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O2
Molecular Weight: 176.1720

Identification/Properties


Properties
BP:
330.0±27.0°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
176.175g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
176.059g/mol
Monoisotopic Mass:
176.059g/mol
Topological Polar Surface Area:
63A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
231
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

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NMR Spectrum


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Chemical Structure



Ethyl 6-cyanopicolinate, a compound with the molecular formula C12H9N3O2, plays a crucial role in chemical synthesis due to its versatile properties and applicability in various reactions. This organic compound serves as a key building block in the synthesis of a wide range of pharmaceuticals, agrochemicals, and other specialty chemicals.One of the primary applications of Ethyl 6-cyanopicolinate is its use as a precursor in the synthesis of heterocyclic compounds. By undergoing various chemical transformations such as cyclization, esterification, and hydrogenation, this compound can be converted into structurally diverse derivatives with unique properties. These derivatives have found extensive use in the development of new drug candidates, herbicides, and insecticides.Additionally, Ethyl 6-cyanopicolinate is often employed as a ligand in coordination chemistry reactions. Its ability to chelate metal ions enables the formation of stable metal complexes, which can exhibit enhanced catalytic or biological activity. This feature makes it a valuable tool in the design of novel catalysts and the study of metal-mediated reactions.Overall, Ethyl 6-cyanopicolinate's versatility and reactivity make it a valuable intermediate in chemical synthesis, enabling the creation of complex molecules with tailored properties for various industrial applications.