2-Pyridinecarboxylic acid, 1-oxide


Chemical Name: 2-Pyridinecarboxylic acid, 1-oxide
CAS Number: 824-40-8
Product Number: AG003TS2(AGN-PC-0JL9EB)
Synonyms:
MDL No:
Molecular Formula: C6H5NO3
Molecular Weight: 139.1088

Identification/Properties


Properties
MP:
162 °C (dec.)(lit.)
BP:
469°C at 760 mmHg
Storage:
Room Temperature;Inert atmosphere;
Form:
Solid
Refractive Index:
1.5423 (estimate)
Computed Properties
Molecular Weight:
139.11g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
139.027g/mol
Monoisotopic Mass:
139.027g/mol
Topological Polar Surface Area:
62.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
137
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



Picolinic acid N-oxide is a versatile compound widely utilized in chemical synthesis as a powerful oxidizing agent. It serves as a valuable reagent in various organic reactions, particularly in the oxidation of alcohols to aldehydes or ketones. This compound demonstrates high selectivity and efficiency, making it an essential tool for chemists in the design and execution of complex synthesis pathways. Additionally, Picolinic acid N-oxide is known for its mild reaction conditions, which is advantageous in facilitating transformations without causing undesired side reactions or product degradation. Its broad synthetic utility and compatibility with diverse substrates have cemented its role as a valuable reagent in the arsenal of organic chemists exploring new synthetic methodologies.