1-(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-ETHANONE|944937-14-8,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

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)-

1-(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-ETHANONE

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Chemical Name:	1-(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-ETHANONE
CAS Number:	944937-14-8
Product Number:	AG0036RV(AGN-PC-04G0H5)
Synonyms:
MDL No:
Molecular Formula:	C9H8N2O
Molecular Weight:	160.1726

Identification/Properties
Safety Information
NMR Spectrum
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Identification/Properties

Properties

Storage:

Keep in dry area;Room Temperature;

Computed Properties

Molecular Weight:

160.176g/mol

XLogP3:

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

160.064g/mol

Monoisotopic Mass:

160.064g/mol

Topological Polar Surface Area:

45.8A^2

Heavy Atom Count:

Formal Charge:

Complexity:

193

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

Signal Word:

Warning

UN#:

Hazard Statements:

H302-H319

Precautionary Statements:

P305+P351+P338

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

The compound 1-(1H-Pyrrolo[2,3-b]pyridin-5-yl)ethanone is a key building block in chemical synthesis due to its versatile reactivity and unique structural features. It serves as a valuable intermediate in the preparation of various heterocyclic compounds, which are important in the development of pharmaceuticals, agrochemicals, and materials science.In organic synthesis, 1-(1H-Pyrrolo[2,3-b]pyridin-5-yl)ethanone can participate in various reactions such as Friedel-Crafts acylation, nucleophilic addition, and ring-closure reactions. These reactions allow for the functionalization and modification of the compound to generate a diverse array of complex molecules with tailored properties.Furthermore, the presence of the pyrrolopyridine moiety in 1-(1H-Pyrrolo[2,3-b]pyridin-5-yl)ethanone imparts unique aromatic and electronic characteristics, making it a valuable scaffold for the design of bioactive compounds. Its incorporation into drug candidates has shown promising biological activities due to its ability to interact with specific biological targets.Overall, the utilization of 1-(1H-Pyrrolo[2,3-b]pyridin-5-yl)ethanone in chemical synthesis provides chemists with a powerful tool to access structurally diverse molecules with potential applications in drug discovery and materials science.