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4‐nitro‐1h‐pyrrolo[2,3‐b]pyridin‐7‐ium‐7‐olate - 97%, high purity , CAS No.74420-06-7
Discover 4‐nitro‐1h‐pyrrolo[2,3‐b]pyridin‐7‐ium‐7‐olate by Aladdin Scientific in 97% for only $935.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
74420-06-7 | 1H-pyrrolo[2,3-b]pyridine, 4-nitro-, 7-oxide | 4-nitro-1H-pyrrolo[2,3-b]pyridine 7-oxide | 7-hydroxy-4-nitropyrrolo[2,3-b]pyridine | 4-nitro-1h-pyrrolo[2,3-b]pyridin-7-ium-7-olate | 1H-Pyrrolo[2,3-b]pyridine,4-nitro-,7-oxide | starbld0000480 | 4-Nitro-1H-p
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
Nitroaromatic compounds Pyridines and derivatives Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Nitroaromatic compound - Pyridine - Pyrrole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic zwitterion - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen 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
7-hydroxy-4-nitropyrrolo[2,3-b]pyridine
INCHI
InChI=1S/C7H5N3O3/c11-9-4-2-6(10(12)13)5-1-3-8-7(5)9/h1-4,11H
InChIKey
WOIAIVJWNRFBGP-UHFFFAOYSA-N
Smiles
C1=CN=C2C1=C(C=CN2O)[N+](=O)[O-]
Isomeric SMILES
C1=CN=C2C1=C(C=CN2O)[N+](=O)[O-]
PubChem CID
639247
Molecular Weight
179.1329
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
179.130 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
179.033 Da
Monoisotopic Mass
179.033 Da
Topological Polar Surface Area
83.900 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
218.000
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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