| Pubchem ID | 938 |
|---|---|
| CAS | 59-67-6 |
| IUPAC name | pyridine-3-carboxylic acid |
| Synonyms | Nicotinic acid|Pyridine-3-carboxylic acid|3-pyridinecarboxylic acid|3-Carboxypyridine|wampocap|Pellagrin |
| Categories | Nutrition enhancer |
| SMILES | C1=CC(=CN=C1)C(=O)O |
| InCheykey | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
| Natural | nan |
| E No. | E375 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 123.111 | 1 | 3 | 1 | 50.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Weaker / Non binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Degradable |