5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-hydroxy-


Chemical Name: 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-hydroxy-
CAS Number: 23439-87-4
Product Number: AG002N8F(AGN-PC-00NLXG)
Synonyms:
MDL No:
Molecular Formula: C7H4N2O3
Molecular Weight: 164.1183

Identification/Properties


Computed Properties
Molecular Weight:
164.12g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
164.022g/mol
Monoisotopic Mass:
164.022g/mol
Topological Polar Surface Area:
70.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
241
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



6-Hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione is a versatile chemical compound widely utilized in chemical synthesis processes. This unique molecule serves as a valuable building block in the creation of various organic compounds due to its distinctive structure and reactivity. In chemical synthesis, 6-Hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione is often employed as a key intermediate for the synthesis of heterocyclic compounds. Its hydroxy and pyrrolopyridine functionalities offer opportunities for diverse reactions, including nucleophilic substitutions, condensations, and cyclizations. These reactions enable the formation of complex structures with multiple points of attachment, making it an important component in the construction of pharmaceuticals, agrochemicals, and materials.Additionally, the presence of the hydroxy group in 6-Hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione allows for further modification through various chemical transformations such as oxidation, reduction, and esterification. These modifications can tailor the chemical properties of the compound, expanding its applicability in different synthetic pathways.Overall, the strategic incorporation of 6-Hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione in chemical synthesis enables the efficient construction of diverse organic molecules with specific functionalities, showcasing its significance in the realm of organic chemistry.