≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| ALogP | 1.5 |
|---|
| Canonical Smiles | C1=C(NC2=NC(=NC=C21)Cl)C(=O)O |
|---|---|
| InChIKey | FIPOUAAXJVTDLV-UHFFFAOYSA-N |
| INCHI | 1S/C7H4ClN3O2/c8-7-9-2-3-1-4(6(12)13)10-5(3)11-7/h1-2H,(H,12,13)(H,9,10,11) |
| Isomeric SMILES | C1=C(NC2=NC(=NC=C21)Cl)C(=O)O |
| PubChem CID | 83680457 |
| Molecular Weight | 197.58 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolopyrimidines |
| Subclass | Pyrrolo[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolo[2,3-d]pyrimidines |
| Alternative Parents | Pyrrole 2-carboxylic acids 2-halopyrimidines Substituted pyrroles Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,3-d]pyrimidine - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Substituted pyrrole - Pyrimidine - Heteroaromatic compound - Pyrrole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions. |
| External Descriptors | Not available |
| Molecular Weight | 197.580 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 196.999 Da |
| Monoisotopic Mass | 196.999 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-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid - ≥97% CAS No(1503461-20-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/6/C677420.jpg)