ethyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate


Chemical Name: ethyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CAS Number: 1256824-48-2
Product Number: AG000OFP(AGN-PC-09YPSK)
Synonyms:
MDL No:
Molecular Formula: C9H9N3O2
Molecular Weight: 191.1867

Identification/Properties


Computed Properties
Molecular Weight:
191.19g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
191.069g/mol
Monoisotopic Mass:
191.069g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
222
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate is a versatile chemical compound used in various chemical synthesis applications. Its unique molecular structure enables it to serve as a crucial building block in the creation of diverse organic compounds. This compound exhibits significant potential in medicinal chemistry due to its ability to be modified and functionalized to yield a broad range of pharmacologically active molecules. Additionally, Ethyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate plays a vital role in the development of novel materials and catalysts through its incorporation into intricate molecular frameworks. Its utility extends to the synthesis of advanced organic intermediates, making it a valuable component in the production of complex organic substances.