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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)N1CCC2=C(C1)C=C(S2)C=O |
|---|---|
| IUPAC Name | 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carbaldehyde |
| InChIKey | ZALLBCKHSBDXCF-UHFFFAOYSA-N |
| INCHI | 1S/C10H11NO2S/c1-7(13)11-3-2-10-8(5-11)4-9(6-12)14-10/h4,6H,2-3,5H2,1H3 |
| Molecular Weight | 209.27 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyridines |
| Alternative Parents | 2,3,5-trisubstituted thiophenes Aryl-aldehydes Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Acetamides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - 2,3,5-trisubstituted thiophene - Aryl-aldehyde - Pyridine - Tertiary carboxylic acid amide - Thiophene - Acetamide - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 209.270 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 209.051 Da |
| Monoisotopic Mass | 209.051 Da |
| Topological Polar Surface Area | 65.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 257.000 |
| 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 |