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2-Ethyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde , CAS No.1246088-51-6
Discover 2-Ethyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde by Aladdin Scientific in for only $761.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Ethyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde | MFCD17171332 | DTXSID80678448 | AKOS015838597 | 2-Ethyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde, AldrichCPR | 1246088-51-6 | WZB08851
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
Pyridine carboxaldehydes Aryl-aldehydes Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - 3-pyridine carboxaldehyde - Aryl-aldehyde - Pyridine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Azacycle - Organic oxide - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - 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
2-ethyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
INCHI
InChI=1S/C10H10N2O/c1-2-9-4-8-3-7(6-13)5-11-10(8)12-9/h3-6H,2H2,1H3,(H,11,12)
InChIKey
RQZRWBCJDGIEKW-UHFFFAOYSA-N
Smiles
CCC1=CC2=CC(=CN=C2N1)C=O
Isomeric SMILES
CCC1=CC2=CC(=CN=C2N1)C=O
WGK Germany
3
PubChem CID
49761644
Molecular Weight
174.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
174.200 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
174.079 Da
Monoisotopic Mass
174.079 Da
Topological Polar Surface Area
45.800 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
195.000
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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