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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 | C1=CC(=NC2=C1NC=C2I)Cl |
|---|---|
| IUPAC Name | 5-chloro-3-iodo-1H-pyrrolo[3,2-b]pyridine |
| InChIKey | DTYKKMQQSSHZFS-UHFFFAOYSA-N |
| INCHI | 1S/C7H4ClIN2/c8-6-2-1-5-7(11-6)4(9)3-10-5/h1-3,10H |
| Isomeric SMILES | C1=CC(=NC2=C1NC=C2I)Cl |
| Alternate CAS | 1190310-88-3 |
| PubChem CID | 53412948 |
| Molecular Weight | 278.48 |
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 | 2-halopyridines Substituted pyrroles Aryl iodides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Aryl iodide - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen 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 | 278.480 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 277.911 Da |
| Monoisotopic Mass | 277.911 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| 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 |