≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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=C(C2=NC(=CN=C2N1)Br)C(=O)O |
|---|---|
| IUPAC Name | 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid |
| InChIKey | GMNHPDGWLWPFSV-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrN3O2/c8-4-2-10-6-5(11-4)3(1-9-6)7(12)13/h1-2H,(H,9,10)(H,12,13) |
| Isomeric SMILES | C1=C(C2=NC(=CN=C2N1)Br)C(=O)O |
| Molecular Weight | 242.032 |
| Reaxy-Rn | 23383371 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23383371&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolopyrazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyrazines |
| Alternative Parents | Pyrrole carboxylic acids Substituted pyrroles Pyrazines Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyrazine - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Pyrazine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolopyrazines. These are compounds containing a pyrrolopyrazine moiety, which consists of a pyrrole ring fused to a pyrazine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4. |
| External Descriptors | Not available |
| Molecular Weight | 242.030 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 240.949 Da |
| Monoisotopic Mass | 240.949 Da |
| Topological Polar Surface Area | 78.900 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 |
![2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid - ≥97% CAS No(1422772-78-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/1/B174118.png)