Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| ALogP | 3.1 |
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| Pubchem Sid | 504764877 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504764877 |
| Canonical Smiles | CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl |
| IUPAC Name | 4-[[4-(4-chloroanilino)furo[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide |
| InChIKey | QFCXANHHBCGMAS-UHFFFAOYSA-N |
| INCHI | 1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25) |
| Isomeric SMILES | CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl |
| PubChem CID | 9808844 |
| Molecular Weight | 409.83 |
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 | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxamides |
| Alternative Parents | 2-heteroaryl carboxamides Aniline and substituted anilines Alkyl aryl ethers Aminopyridazines Chlorobenzenes Imidolactams Aryl chlorides Heteroaromatic compounds Furans Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridinecarboxamide - 2-heteroaryl carboxamide - Aniline or substituted anilines - Alkyl aryl ether - Aminopyridazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridazine - Heteroaromatic compound - Furan - Carboxamide group - Secondary carboxylic acid amide - Ether - Azacycle - Carboxylic acid derivative - Oxacycle - Organohalogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 20, 2026 | T129747 | |
| Certificate of Analysis | Jan 20, 2026 | T129747 | |
| Certificate of Analysis | Jan 20, 2026 | T129747 | |
| Certificate of Analysis | Jan 20, 2026 | T129747 | |
| Certificate of Analysis | Jan 20, 2026 | T129747 | |
| Certificate of Analysis | Jan 20, 2026 | T129747 | |
| Certificate of Analysis | Jan 04, 2025 | T129747 |
| Solubility | DMSO 82 mg/mL Water <1 mg/mL Ethanol 1 mg/mL |
|---|---|
| Molecular Weight | 409.800 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 409.094 Da |
| Monoisotopic Mass | 409.094 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 548.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →