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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC(=C(C=C1)C2=C(N3C=C(C=CC3=N2)Cl)C=O)C |
|---|---|
| IUPAC Name | 6-chloro-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde |
| InChIKey | CXDWTKQYRNUCQM-UHFFFAOYSA-N |
| INCHI | 1S/C16H13ClN2O/c1-10-3-5-13(11(2)7-10)16-14(9-20)19-8-12(17)4-6-15(19)18-16/h3-9H,1-2H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1)C2=C(N3C=C(C=CC3=N2)Cl)C=O)C |
| PubChem CID | 4715257 |
| Molecular Weight | 284.74 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Imidazopyridines Imidazo[1,2-a]pyridines m-Xylenes Carbonylimidazoles Aryl-aldehydes Pyridines and derivatives N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Imidazopyridine - Imidazo[1,2-a]pyridine - M-xylene - Xylene - Imidazole-4-carbonyl group - Aryl-aldehyde - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aldehyde - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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 |
| Molecular Weight | 284.740 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 284.072 Da |
| Monoisotopic Mass | 284.072 Da |
| Topological Polar Surface Area | 34.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 364.000 |
| 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 |