Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥95% 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.
| Pubchem Sid | 504750865 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750865 |
| Canonical Smiles | CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O |
| IUPAC Name | 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid |
| InChIKey | PVYJZLYGTZKPJE-UHFFFAOYSA-N |
| INCHI | 1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34) |
| Isomeric SMILES | CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O |
| WGK Germany | 3 |
| RTECS | TJ7350000 |
| PubChem CID | 5298 |
| UN Number | 3462 |
| Molecular Weight | 506.46 |
| Beilstein | 599390 |
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 | Bipyridines and oligopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bipyridines and oligopyridines |
| Alternative Parents | Phenylpyridines Quinoline quinones Dimethoxybenzenes Hydroquinolines Methoxyphenols Pyridinecarboxylic acids Phenoxy compounds Aryl ketones Anisoles 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aminopyridines and derivatives Methylpyridines Heteroaromatic compounds Vinylogous esters Vinylogous amides Amino acids Monocarboxylic acids and derivatives Enamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organopnictogen compounds Monoalkylamines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyridine - Quinoline quinone - Bipyridine - Methoxyphenol - Dihydroquinoline - Dimethoxybenzene - O-dimethoxybenzene - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Aryl ketone - Methylpyridine - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Aminopyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous ester - Ketone - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enamine - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. |
| External Descriptors | pyridines - quinolone |
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| Molecular Weight | 506.500 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 506.144 Da |
| Monoisotopic Mass | 506.144 Da |
| Topological Polar Surface Area | 197.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 944.000 |
| 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 →