| Canonical Smiles | C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Cr+3] |
|---|---|
| IUPAC Name | chromium(3+);pyridine-2-carboxylate |
| InChIKey | CBDQOLKNTOMMTL-UHFFFAOYSA-K |
| INCHI | 1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3 |
| Isomeric SMILES | C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Cr+3] |
| WGK Germany | 3 |
| RTECS | US5647790 |
| Molecular Weight | 418.3 |
| Reaxy-Rn | 456376 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=456376&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Pyridinecarboxylic acids |
| Alternative Parents | Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Organic chromium salts Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Pyridine carboxylic acid - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic transition metal salt - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic chromium salt - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | chromium coordination entity |
| Molecular Weight | 418.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 0 |
| Exact Mass | 418.013 Da |
| Monoisotopic Mass | 418.013 Da |
| Topological Polar Surface Area | 159.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 108.000 |
| 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 | 4 |
| 1. Yan Xu, Weitao Yang, Zhuoyao Wu, Hui Wang, Tianming Cui, Weiwei Zeng, Yanjing Yun, Bingbo Zhang. (2024) A Chromium-Based magnetic resonance probe for in situ gastric pH imaging. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.154269] |
