≥95% 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=CC(=CC=C1CN2C=CC3=C2N=CN=C3Cl)F |
|---|---|
| IUPAC Name | 4-chloro-7-[(4-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidine |
| InChIKey | ZSDCJBKSWNJZPV-UHFFFAOYSA-N |
| INCHI | 1S/C13H9ClFN3/c14-12-11-5-6-18(13(11)17-8-16-12)7-9-1-3-10(15)4-2-9/h1-6,8H,7H2 |
| Molecular Weight | 261.68 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Halopyrimidines Fluorobenzenes Substituted pyrroles Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,3-d]pyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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 | 261.680 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 261.047 Da |
| Monoisotopic Mass | 261.047 Da |
| Topological Polar Surface Area | 30.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 283.000 |
| 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 |
![7-(4-Fluorobenzyl)-4-chloro-7H-pyrrolo[2,3-D]pyrimidine - ≥95% , CAS No.1380310-99-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)