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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 | COC1=CC(=C(C=C1)Cl)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N |
|---|---|
| IUPAC Name | 3-amino-N-(2-chloro-5-methoxyphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide |
| InChIKey | HJUIWBOSBMSRTC-UHFFFAOYSA-N |
| INCHI | 1S/C20H15ClN4O2S/c1-27-12-2-4-14(21)16(10-12)24-19(26)18-17(22)13-3-5-15(25-20(13)28-18)11-6-8-23-9-7-11/h2-10H,22H2,1H3,(H,24,26) |
| Isomeric SMILES | COC1=CC(=C(C=C1)Cl)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=NC=C4)N |
| PubChem CID | 1003797 |
| Molecular Weight | 410.88 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Bipyridines and oligopyridines Methoxyanilines Thienopyridines Pyridinecarboxamides 2-heteroaryl carboxamides Anisoles Thiophene carboxamides Methoxybenzenes Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aminothiophenes Aryl chlorides Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aromatic anilide - Bipyridine - Pyridinecarboxamide - Thienopyridine - Methoxyaniline - Anisole - 2-heteroaryl carboxamide - Phenol ether - Phenoxy compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Pyridine - Aminothiophene - Thiophene - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 410.900 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 410.06 Da |
| Monoisotopic Mass | 410.06 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 550.000 |
| 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 |