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1H-pyrrolo[3,2-b]pyridin-4-ium-4-olate - 97%, high purity , CAS No.1116136-36-7
Discover 1H-pyrrolo[3,2-b]pyridin-4-ium-4-olate by Aladdin Scientific in 97% for only $119.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1H-Pyrrolo[3,2-b]pyridine 4-oxide | 1116136-36-7 | 1H-pyrrolo[3,2-b]pyridin-4-ium-4-olate | 4-hydroxypyrrolo[3,2-b]pyridine | 1h-pyrrolo[3,2-b]pyridine4-oxide | MFCD12827548 | SCHEMBL3624899 | SCHEMBL4490839 | DTXSID40680527 | HULGTKORTOGPHW-UHFFFAOYSA-N | 4-hydroxypyrrolo[3
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 Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen 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
4-hydroxypyrrolo[3,2-b]pyridine
INCHI
InChI=1S/C7H6N2O/c10-9-5-1-2-6-7(9)3-4-8-6/h1-5,10H
InChIKey
ORPVDSROZJCYDT-UHFFFAOYSA-N
Smiles
C1=CN(C2=CC=NC2=C1)O
Isomeric SMILES
C1=CN(C2=CC=NC2=C1)O
PubChem CID
52911127
Molecular Weight
134.138
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
134.140 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
134.048 Da
Monoisotopic Mass
134.048 Da
Topological Polar Surface Area
38.100 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
129.000
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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