ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate


Chemical Name: ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CAS Number: 1261588-72-0
Product Number: AG000RVR(AGN-PC-0BHV0K)
Synonyms:
MDL No:
Molecular Formula: C10H10N2O2
Molecular Weight: 190.1986

Identification/Properties


Computed Properties
Molecular Weight:
190.202g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
190.074g/mol
Monoisotopic Mass:
190.074g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
220
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



Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate serves as a versatile building block in chemical synthesis, particularly in the development of novel pharmaceutical compounds. It exhibits unique structural features that lend themselves well to the formation of diverse chemical structures through various synthetic routes. This compound can be utilized as a key intermediate in the synthesis of complex molecules with potential biological activity. Its functional groups enable selective manipulations that are crucial for the creation of structurally complex and pharmacologically relevant compounds. In the realm of organic synthesis, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate plays a significant role in the generation of libraries of compounds for drug discovery and development endeavors. Its application in chemical synthesis highlights its importance as a valuable tool for the creation of new molecules with potential therapeutic applications.