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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)(C)OC(=O)NC1=NC=C(C=C1)C(=O)OC |
|---|---|
| IUPAC Name | methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate |
| InChIKey | KHMRKCRGUHPQLA-UHFFFAOYSA-N |
| INCHI | 1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-6-5-8(7-13-9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16) |
| Isómeros SMILES | CC(C)(C)OC(=O)NC1=NC=C(C=C1)C(=O)OC |
| Peso molecular | 252.27 |
| Reaxy-Rn | 8318667 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8318667&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Imidolactams Methyl esters Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Imidolactam - Carbamic acid ester - Methyl ester - Heteroaromatic compound - Carbonic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Descripción | 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 | Not available |
| Punto de fusión (°C) | 166-170° |
|---|---|
| Peso molecular | 252.270 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 252.111 Da |
| Monoisotopic Mass | 252.111 Da |
| Topological Polar Surface Area | 77.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 312.000 |
| 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 |
![Methyl 6-[(tert-butoxycarbonyl)amino]nicotinate - CAS No(144186-11-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/3/M334995.png)