| Canonical Smiles | C1=CC(=NC2=C1SC=C2C(=O)O)Cl |
|---|---|
| IUPAC Name | 5-chlorothieno[3,2-b]pyridine-3-carboxylic acid |
| InChIKey | DHMWTHARWQKMLE-UHFFFAOYSA-N |
| INCHI | 1S/C8H4ClNO2S/c9-6-2-1-5-7(10-6)4(3-13-5)8(11)12/h1-3H,(H,11,12) |
| Molecular Weight | 213.64 |
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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 | Thiophene carboxylic acids 2-halopyridines Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Thiophene - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - 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 | 213.640 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.965 Da |
| Monoisotopic Mass | 212.965 Da |
| Topological Polar Surface Area | 78.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 226.000 |
| 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 |
![5-Chlorothieno[3,2-B]pyridine-3-carboxylic acid - ≥97% , CAS No.1356016-34-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)