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  2. 1H-​Pyrrolo[2,​3-​b]​pyridine-​2-​carboxylic acid,  5-​amino-​, methyl ester

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-​Pyrrolo[2,​3-​b]​pyridine-​2-​carboxylic acid,  5-​amino-​, methyl ester

COC(=O)c1cc2c([nH]1)ncc(c2)N Request for Quotation
Chemical Name: 1H-​Pyrrolo[2,​3-​b]​pyridine-​2-​carboxylic acid,  5-​amino-​, methyl ester
CAS Number: 952182-18-2
Product Number: AG00IIU6(AGN-PC-0WAKT4)
Synonyms:
MDL No:
Molecular Formula: C9H9N3O2
Molecular Weight: 191.1867

Identification/Properties

Computed Properties
Molecular Weight:
191.19g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
191.069g/mol
Monoisotopic Mass:
191.069g/mol
Topological Polar Surface Area:
81A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
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:
Danger
UN#:
3259
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 5-amino-1H-pyrrolo[2,3-b]pyridine-2-carboxylate serves as a versatile building block in chemical synthesis due to its unique structure and reactivity. This compound is commonly utilized in the pharmaceutical industry to synthesize heterocyclic compounds and potential drug candidates. Its amino and carboxylate functional groups allow for easy manipulation in organic reactions, making it a valuable intermediate in the synthesis of complex molecules. Additionally, the pyrrolopyridine core of this compound imparts certain biological activities, opening up opportunities for the development of novel pharmaceuticals. Its application in chemical synthesis extends beyond medicinal chemistry to include materials science and agrochemical research, highlighting its broad utility in diverse scientific fields.