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7-Methyl-1H-pyrrolo[3,2-b]pyridin-2(3H)-one - 95%, high purity , CAS No.56057-25-1
Basic Description
Synonyms
7-Methyl-1H-pyrrolo[3,2-b]pyridin-2(3H)-one | 56057-25-1 | 7-methyl-4-aza-2-oxindole | 7-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one | SCHEMBL659718 | AMY2860 | DTXSID40480847 | RPQWKYDZGOEUFR-UHFFFAOYSA-N | MFCD12924242 | AKOS015998746 | DS-16322 | CS-0054268 | FT-0687306 | C75
Specifications & Purity
≥95%
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
Methylpyridines Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Methylpyridine - Pyridine - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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
7-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
INCHI
InChI=1S/C8H8N2O/c1-5-2-3-9-6-4-7(11)10-8(5)6/h2-3H,4H2,1H3,(H,10,11)
InChIKey
RPQWKYDZGOEUFR-UHFFFAOYSA-N
Smiles
CC1=C2C(=NC=C1)CC(=O)N2
Isomeric SMILES
CC1=C2C(=NC=C1)CC(=O)N2
Molecular Weight
148.16
Reaxy-Rn
776157
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=776157&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
148.160 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
148.064 Da
Monoisotopic Mass
148.064 Da
Topological Polar Surface Area
42.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
181.000
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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