4-Pyridinecarboxylic acid, 2,6-diphenyl-


Chemical Name: 4-Pyridinecarboxylic acid, 2,6-diphenyl-
CAS Number: 38947-57-8
Product Number: AG003EO9(AGN-PC-0KVAMW)
Synonyms:
MDL No:
Molecular Formula: C18H13NO2
Molecular Weight: 275.3013

Identification/Properties


Properties
MP:
283-286 °C(lit.)
BP:
548.6±50.0 °C(Predicted)
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
275.307g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
275.095g/mol
Monoisotopic Mass:
275.095g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
319
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2,6-Diphenylisonicotinic acid is a versatile chemical compound commonly employed in chemical synthesis processes. This compound serves as a valuable building block in various organic reactions and transformations due to its unique structure and reactivity. In synthetic chemistry, it is frequently used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its functional groups make it a suitable candidate for forming new carbon-carbon and carbon-nitrogen bonds, allowing for the creation of complex molecular architectures. Furthermore, 2,6-Diphenylisonicotinic acid can participate in diverse coupling reactions, such as Suzuki, Heck, and Sonogashira couplings, enabling the preparation of structurally diverse compounds. Its application extends to the field of materials science, where it can be utilized in the design and fabrication of novel polymers, dyes, and organic electronic materials. Additionally, this compound has found utility in designing ligands for catalytic reactions, contributing to the development of efficient and selective chemical transformations. In summary, the strategic incorporation of 2,6-Diphenylisonicotinic acid in chemical synthesis endeavors facilitates the construction of intricate molecules with tailored properties and functionalities.