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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.
| Pubchem Sid | 488197674 |
|---|---|
| Canonical Smiles | C1=CNC2=NC=CC(=C21)C#N |
| IUPAC Name | 1H-pyrrolo[2,3-b]pyridine-4-carbonitrile |
| InChIKey | HAROKQXDLYCEQV-UHFFFAOYSA-N |
| INCHI | 1S/C8H5N3/c9-5-6-1-3-10-8-7(6)2-4-11-8/h1-4H,(H,10,11) |
| Isomeric SMILES | C1=CNC2=NC=CC(=C21)C#N |
| WGK Germany | 3 |
| Molecular Weight | 143.15 |
| Reaxy-Rn | 10425339 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10425339&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 | Pyridines and derivatives Pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyridine - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 26, 2023 | A122932 | |
| Certificate of Analysis | May 26, 2023 | A122932 | |
| Certificate of Analysis | May 26, 2023 | A122932 | |
| Certificate of Analysis | May 26, 2023 | A122932 | |
| Certificate of Analysis | May 26, 2023 | A122932 | |
| Certificate of Analysis | May 26, 2023 | A122932 | |
| Certificate of Analysis | May 10, 2023 | A122932 | |
| Certificate of Analysis | May 10, 2023 | A122932 | |
| Certificate of Analysis | May 10, 2023 | A122932 | |
| Certificate of Analysis | May 10, 2023 | A122932 | |
| Certificate of Analysis | May 10, 2023 | A122932 | |
| Certificate of Analysis | May 10, 2023 | A122932 | |
| Certificate of Analysis | May 10, 2023 | A122932 | |
| Certificate of Analysis | May 10, 2023 | A122932 | |
| Certificate of Analysis | May 10, 2023 | A122932 |
| Molecular Weight | 143.150 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 143.048 Da |
| Monoisotopic Mass | 143.048 Da |
| Topological Polar Surface Area | 52.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |