≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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.
| Canonical Smiles | CC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=C(N3)C=NC=C4 |
|---|---|
| IUPAC Name | 3-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methylchromen-2-one |
| InChIKey | AFTXOIIKGOXDOT-UHFFFAOYSA-N |
| INCHI | 1S/C16H11N3O2/c1-9-2-3-14-10(6-9)7-11(16(20)21-14)15-18-12-4-5-17-8-13(12)19-15/h2-8H,1H3,(H,18,19) |
| Isomeric SMILES | CC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=C(N3)C=NC=C4 |
| PubChem CID | 22424483 |
| Molecular Weight | 277.28 |
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 | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Imidazo-[4,5-c]pyridines Pyranones and derivatives Pyridines and derivatives Benzenoids Imidazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - 1-benzopyran - Imidazopyridine - Imidazo-[4,5-c]pyridine - Pyranone - Pyran - Pyridine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| External Descriptors | Not available |
| Molecular Weight | 277.280 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 277.085 Da |
| Monoisotopic Mass | 277.085 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 464.000 |
| 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 |
![3-(1H-imidazo[4,5-c]pyridin-2-yl)-6-methyl-2H-chromen-2-one - ≥99% CAS No(899548-78-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/1/H1025725.jpg)