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3-(4-Chlorophenyl)imidazo[1，5-a]pyridine-1-carbaldehyde - ≥98%, high purity , CAS No.446269-62-1
Basic Description
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Imidazopyridines Chlorobenzenes Carbonylimidazoles Aryl-aldehydes Pyridines and derivatives N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Imidazopyridine - Imidazole-4-carbonyl group - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Azacycle - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
INCHI
InChI=1S/C14H9ClN2O/c15-11-6-4-10(5-7-11)14-16-12(9-18)13-3-1-2-8-17(13)14/h1-9H
InChIKey
WMDCWTLEGLJZAU-UHFFFAOYSA-N
Smiles
C1=CC2=C(N=C(N2C=C1)C3=CC=C(C=C3)Cl)C=O
Isomeric SMILES
C1=CC2=C(N=C(N2C=C1)C3=CC=C(C=C3)Cl)C=O
PubChem CID
2791582
Molecular Weight
256.69
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
256.680 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
256.04 Da
Monoisotopic Mass
256.04 Da
Topological Polar Surface Area
34.400 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
304.000
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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