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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 | CN1C=NC2=C1N=CC(=C2)C=CC(=O)OC |
|---|---|
| IUPAC Name | methyl (E)-3-(3-methylimidazo[4,5-b]pyridin-6-yl)prop-2-enoate |
| InChIKey | VPWQXRIXCZJGBK-ONEGZZNKSA-N |
| INCHI | 1S/C11H11N3O2/c1-14-7-13-9-5-8(6-12-11(9)14)3-4-10(15)16-2/h3-7H,1-2H3/b4-3+ |
| Isomeric SMILES | CN1C=NC2=C1N=CC(=C2)/C=C/C(=O)OC |
| WGK Germany | 3 |
| PubChem CID | 46737965 |
| Molecular Weight | 217.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazopyridines |
| Alternative Parents | Fatty acid esters Pyridines and derivatives N-substituted imidazoles Methyl esters Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazopyridine - Fatty acid ester - N-substituted imidazole - Pyridine - Fatty acyl - Heteroaromatic compound - Imidazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Azole - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 217.220 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 217.085 Da |
| Monoisotopic Mass | 217.085 Da |
| Topological Polar Surface Area | 57.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![(E)-Methyl 3-(3-methyl-3H-imidazo[4,5-b]pyridin-6-yl)acrylate - CAS No(1186405-22-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/1/E166290.png)