| Sonrisas canónicas | COC1=C(C(=NC=C1)Cl)C=O |
|---|---|
| IUPAC Name | 2-chloro-4-methoxypyridine-3-carbaldehyde |
| InChIKey | BDKGCVNNWDEUKG-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClNO2/c1-11-6-2-3-9-7(8)5(6)4-10/h2-4H,1H3 |
| Isómeros SMILES | COC1=C(C(=NC=C1)Cl)C=O |
| PubChem CID | 53407601 |
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 | Pyridine carboxaldehydes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridine carboxaldehydes |
| Alternative Parents | Aryl-aldehydes Alkyl aryl ethers 2-halopyridines Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-pyridine carboxaldehyde - Alkyl aryl ether - 2-halopyridine - Aryl-aldehyde - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Ether - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aldehyde - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group. |
| External Descriptors | Not available |
| Peso molecular | 171.580 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 171.009 Da |
| Monoisotopic Mass | 171.009 Da |
| Topological Polar Surface Area | 39.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 142.000 |
| 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 |
