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6-fluoro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one - 97%, high purity , CAS No.1190322-87-2
Basic Description
Synonyms
1190322-87-2 | 6-Fluoro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one | 6-fluoro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one | 2H-Pyrrolo[2,3-b]pyridin-2-one, 6-fluoro-1,3-dihydro- | 6-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one | MFCD12962934 | SB14246 | AS-79434 | P192
Specifications & Purity
≥97%
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
2-halopyridines Imidolactams Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - 2-halopyridine - Aryl fluoride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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
6-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
INCHI
InChI=1S/C7H5FN2O/c8-5-2-1-4-3-6(11)10-7(4)9-5/h1-2H,3H2,(H,9,10,11)
InChIKey
BTZNXQFEMDUYHT-UHFFFAOYSA-N
Smiles
C1C2=C(NC1=O)N=C(C=C2)F
Isomeric SMILES
C1C2=C(NC1=O)N=C(C=C2)F
PubChem CID
76847831
Molecular Weight
152.13
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
152.130 g/mol
XLogP3
0.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
152.039 Da
Monoisotopic Mass
152.039 Da
Topological Polar Surface Area
42.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
185.000
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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