| Canonical Smiles | C1=C(C=NC(=C1[N+](=O)[O-])C=O)Cl |
|---|---|
| IUPAC Name | 5-chloro-3-nitropyridine-2-carbaldehyde |
| InChIKey | WSRAYZCNSPVZHL-UHFFFAOYSA-N |
| INCHI | 1S/C6H3ClN2O3/c7-4-1-6(9(11)12)5(3-10)8-2-4/h1-3H |
| Isomeric SMILES | C1=C(C=NC(=C1[N+](=O)[O-])C=O)Cl |
| PubChem CID | 72213340 |
| Molecular Weight | 186.55 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridine carboxaldehydes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridine carboxaldehydes |
| Alternative Parents | Nitroaromatic compounds Aryl-aldehydes Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - 2-pyridine carboxaldehyde - Aryl-aldehyde - Aryl chloride - Aryl halide - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Aldehyde - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Organic cation - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 186.550 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 185.983 Da |
| Monoisotopic Mass | 185.983 Da |
| Topological Polar Surface Area | 75.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 194.000 |
| 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 |
