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5-chloro-3-nitro-1H-pyrrolo[3,2-b]pyridine - 97%, high purity , CAS No.1116136-63-0
Basic Description
Synonyms
5-chloro-3-nitro-1H-pyrrolo[3,2-b]pyridine | 1116136-63-0 | 5-Chloro-3-nitro-4-azaindole | SCHEMBL3616218 | AMY9746 | MFCD16876018 | AKOS027253564 | DS-10327 | I10836 | A935525
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
Nitroaromatic compounds 2-halopyridines Substituted pyrroles Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Nitroaromatic compound - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - Organohalogen 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
5-chloro-3-nitro-1H-pyrrolo[3,2-b]pyridine
INCHI
InChI=1S/C7H4ClN3O2/c8-6-2-1-4-7(10-6)5(3-9-4)11(12)13/h1-3,9H
InChIKey
ZVKDTXRWTRDHMC-UHFFFAOYSA-N
Smiles
C1=CC(=NC2=C1NC=C2[N+](=O)[O-])Cl
Isomeric SMILES
C1=CC(=NC2=C1NC=C2[N+](=O)[O-])Cl
PubChem CID
57613574
Molecular Weight
197.58
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
197.580 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
196.999 Da
Monoisotopic Mass
196.999 Da
Topological Polar Surface Area
74.500 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
220.000
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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