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2-oxo-1H,2H,3H-pyrrolo[2,3-b]pyridine-5-carbonitrile - 97%, high purity , CAS No.1190321-76-6
Discover 2-oxo-1H,2H,3H-pyrrolo[2,3-b]pyridine-5-carbonitrile by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1190321-76-6 | 2-Oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile | 2-oxo-1H,2H,3H-pyrrolo[2,3-b]pyridine-5-carbonitrile | 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 2,3-dihydro-2-oxo- | SCHEMBL2260586
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyridines
Alternative Parents
Pyridines and derivatives Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
INCHI
InChI=1S/C8H5N3O/c9-3-5-1-6-2-7(12)11-8(6)10-4-5/h1,4H,2H2,(H,10,11,12)
InChIKey
JYTNXNRPQFUGOF-UHFFFAOYSA-N
Smiles
C1C2=C(NC1=O)N=CC(=C2)C#N
Isomeric SMILES
C1C2=C(NC1=O)N=CC(=C2)C#N
Molecular Weight
159.148
Reaxy-Rn
39537924
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39537924&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
159.140 g/mol
XLogP3
-0.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
159.043 Da
Monoisotopic Mass
159.043 Da
Topological Polar Surface Area
65.800 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
254.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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