≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CNC(C2=C1NC=N2)C3=CC(=C(C=C3)F)Cl |
|---|---|
| IUPAC Name | 4-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine |
| InChIKey | WEJZJEIMLNLQRZ-UHFFFAOYSA-N |
| INCHI | 1S/C12H11ClFN3/c13-8-5-7(1-2-9(8)14)11-12-10(3-4-15-11)16-6-17-12/h1-2,5-6,11,15H,3-4H2,(H,16,17) |
| Isomeric SMILES | C1CNC(C2=C1NC=N2)C3=CC(=C(C=C3)F)Cl |
| PubChem CID | 45495234 |
| Molecular Weight | 251.69 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazopyridines |
| Alternative Parents | Imidazopiperidines Fluorobenzenes Chlorobenzenes Aralkylamines Aryl fluorides Aryl chlorides Imidazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazopiperidine - Imidazopyridine - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 251.690 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 251.063 Da |
| Monoisotopic Mass | 251.063 Da |
| Topological Polar Surface Area | 40.700 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 278.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine - ≥97% , CAS No.1189749-85-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)