| Canonical Smiles | C1=C(C=NN=C1C(=O)O)Cl |
|---|---|
| IUPAC Name | 5-chloropyridazine-3-carboxylic acid |
| InChIKey | SXGAJPAGCWQZSD-UHFFFAOYSA-N |
| INCHI | 1S/C5H3ClN2O2/c6-3-1-4(5(9)10)8-7-2-3/h1-2H,(H,9,10) |
| Isomeric SMILES | C1=C(C=NN=C1C(=O)O)Cl |
| PubChem CID | 19792063 |
| Molecular Weight | 158.54 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyridazines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridazines and derivatives |
| Alternative Parents | Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - Aryl halide - Pyridazine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 158.540 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 157.988 Da |
| Monoisotopic Mass | 157.988 Da |
| Topological Polar Surface Area | 63.100 Ų |
| Heavy Atom Count | 10 |
| 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 |
