| Canonical Smiles | C1=CC(=CC(=C1)N)C2=CC(=CN=C2)C(=O)O |
|---|---|
| IUPAC Name | 5-(3-aminophenyl)pyridine-3-carboxylic acid |
| InChIKey | OSCMDJNVUGQUIT-UHFFFAOYSA-N |
| INCHI | 1S/C12H10N2O2/c13-11-3-1-2-8(5-11)9-4-10(12(15)16)7-14-6-9/h1-7H,13H2,(H,15,16) |
| Isomeric SMILES | C1=CC(=CC(=C1)N)C2=CC(=CN=C2)C(=O)O |
| PubChem CID | 21191169 |
| Molecular Weight | 214.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Pyridinecarboxylic acids Aniline and substituted anilines Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 214.220 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 214.074 Da |
| Monoisotopic Mass | 214.074 Da |
| Topological Polar Surface Area | 76.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 257.000 |
| 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 |
