| Canonical Smiles | C1CCN(C1)C2=CN=CC(=C2)C(=O)O |
|---|---|
| IUPAC Name | 5-pyrrolidin-1-ylpyridine-3-carboxylic acid |
| InChIKey | UGWSMWOVLUKDAT-UHFFFAOYSA-N |
| INCHI | 1S/C10H12N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h5-7H,1-4H2,(H,13,14) |
| Isomeric SMILES | C1CCN(C1)C2=CN=CC(=C2)C(=O)O |
| PubChem CID | 4738578 |
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 | Dialkylarylamines Aminopyridines and derivatives Pyrrolidines Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Pyrrolidine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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 | Not available |
| Molecular Weight | 192.210 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 192.09 Da |
| Monoisotopic Mass | 192.09 Da |
| Topological Polar Surface Area | 53.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 214.000 |
| 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 |
