methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate


Chemical Name: methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CAS Number: 952182-19-3
Product Number: AG006OL0(AGN-PC-07A7NO)
Synonyms:
MDL No:
Molecular Formula: C9H7ClN2O2
Molecular Weight: 210.6171

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
210.617g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
210.02g/mol
Monoisotopic Mass:
210.02g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
237
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

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NMR Spectrum


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Chemical Structure



The 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-chloro-, methyl ester serves as a versatile building block in chemical synthesis due to its unique structural properties and reactivity. This compound can be utilized in the development of novel pharmaceuticals, agrochemicals, and materials through processes such as cross-coupling reactions, nucleophilic substitutions, and heterocyclic transformations. Its incorporation can lead to the creation of compounds with potentially valuable biological activities or tailored physical properties, making it a valuable tool for medicinal chemists and material scientists seeking to innovate in their respective fields.