≥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 | C1CNCC=C1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F |
|---|---|
| IUPAC Name | 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole |
| InChIKey | WLQZFXJVVNNEJU-UHFFFAOYSA-N |
| INCHI | 1S/C19H16ClFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-7,11-12,22H,8-10H2 |
| Isomeric SMILES | C1CNCC=C1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F |
| Alternate CAS | 106516-07-8 |
| PubChem CID | 9883838 |
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 | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Indoles Fluorobenzenes Hydropyridines Aryl fluorides Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-phenylpyrrole - Indole - Indole or derivatives - Fluorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Heteroaromatic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 326.800 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 326.099 Da |
| Monoisotopic Mass | 326.099 Da |
| Topological Polar Surface Area | 17.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 447.000 |
| 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 |
