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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=CN2C(=CN=C2N=C1)C(=O)O |
|---|---|
| IUPAC Name | imidazo[1,2-a]pyrimidine-3-carboxylic acid |
| InChIKey | HZXJBCVANGLSGC-UHFFFAOYSA-N |
| INCHI | 1S/C7H5N3O2/c11-6(12)5-4-9-7-8-2-1-3-10(5)7/h1-4H,(H,11,12) |
| Isomeric SMILES | C1=CN2C(=CN=C2N=C1)C(=O)O |
| Molecular Weight | 163.14 |
| Reaxy-Rn | 778695 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=778695&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 | Imidazo[1,2-a]pyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazo[1,2-a]pyrimidines |
| Alternative Parents | Carbonylimidazoles Pyrimidines and pyrimidine derivatives N-substituted imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazo[1,2-a]pyrimidine - Imidazole-4-carbonyl group - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazo[1,2-a]pyrimidines. These are aromatic heteropolycyclic compounds containing an imidazole ring fused to and sharing one nitrogen with a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 163.130 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 163.038 Da |
| Monoisotopic Mass | 163.038 Da |
| Topological Polar Surface Area | 67.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| 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 |
![Imidazo[1,2-a]pyrimidine-3-carboxylic acid - CAS No(64951-11-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/I/3/I341292.png)