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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C2=C(C(=CN=C2N1)F)Cl)I |
|---|---|
| IUPAC Name | 4-chloro-5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine |
| InChIKey | GQIXDQQTKUFJIN-UHFFFAOYSA-N |
| INCHI | 1S/C7H3ClFIN2/c8-6-3(9)1-11-7-5(6)4(10)2-12-7/h1-2H,(H,11,12) |
| Isomeric SMILES | C1=C(C2=C(C(=CN=C2N1)F)Cl)I |
| WGK Germany | 3 |
| Molecular Weight | 296.47 |
| Reaxy-Rn | 27400289 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27400289&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyridines |
| Alternative Parents | Polyhalopyridines Substituted pyrroles Aryl iodides Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyridine - Polyhalopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Aryl iodide - Substituted pyrrole - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organoiodide - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 296.470 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 295.901 Da |
| Monoisotopic Mass | 295.901 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 183.000 |
| 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 |
![4-Chloro-5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine - CAS No(1228665-90-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/1/C166613.png)