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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=C2C(=CN=C1F)C(=CN2)C=O |
|---|---|
| IUPAC Name | 6-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde |
| InChIKey | DMHLRSZOXCGDEY-UHFFFAOYSA-N |
| INCHI | 1S/C8H5FN2O/c9-8-1-7-6(3-11-8)5(4-12)2-10-7/h1-4,10H |
| PubChem CID | 123135520 |
| Molecular Weight | 164.14 |
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 | Aryl-aldehydes 2-halopyridines Vinylogous amides Pyrrolines Pyrroles Heteroaromatic compounds Imidoyl fluorides Propargyl-type 1,3-dipolar organic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyridine - 2-halopyridine - Aryl-aldehyde - Pyridine - Heteroaromatic compound - Vinylogous amide - Pyrroline - Pyrrole - Imidoyl halide - Imidoyl fluoride - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aldehyde - 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 |
| Molecular Weight | 164.140 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.039 Da |
| Monoisotopic Mass | 164.039 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 |