| Canonical Smiles | C1=CC(=NC=C1CN)C(=O)O |
|---|---|
| IUPAC Name | 5-(aminomethyl)pyridine-2-carboxylic acid |
| InChIKey | VGLKYVZUHILZIE-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N2O2/c8-3-5-1-2-6(7(10)11)9-4-5/h1-2,4H,3,8H2,(H,10,11) |
| Isomeric SMILES | C1=CC(=NC=C1CN)C(=O)O |
| PubChem CID | 45082040 |
| Molecular Weight | 152.15 |
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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 | Pyridinecarboxylic acids - Pyridine-2-carboxylic acids |
| Direct Parent | 5-alkyl-2-carboxypyrimidines |
| Alternative Parents | Aralkylamines Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-alkyl-2-carboxypyrimidine - Aralkylamine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring. |
| External Descriptors | Not available |
| Molecular Weight | 152.150 g/mol |
|---|---|
| XLogP3 | -2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 152.059 Da |
| Monoisotopic Mass | 152.059 Da |
| Topological Polar Surface Area | 76.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| 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 |
