TL;DR: Pyridine-2-carboxylic anhydride (CAS 16837-39-1) is a chemical compound with molecular formula C12H8N2O3 and molecular weight 228.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridine-2-carbonyl pyridine-2-carboxylate
Also Known As: Pyridine-2-carboxylic anhydride, picolinic anhydride, Picolinsaeure-anhydrid, pyridinecarboxylic anhydride, pyridine-2-carbonyl pyridine-2-carboxylate
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H8N2O3 |
| Molecular Weight | 228.0535 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 69.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.0535 Da |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
| SMILES | C1=CC=NC(=C1)C(=O)OC(=O)C2=CC=CC=N2 |
| InChIKey | QAZOKVGARKDTKF-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine-2-carboxylic anhydride. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine-2-carboxylic anhydride. Following Lipinski's Rule of Five, Pyridine-2-carboxylic anhydride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyridine-2-carboxylic anhydride is 16837-39-1.
The molecular formula of Pyridine-2-carboxylic anhydride is C12H8N2O3.
The molecular weight of Pyridine-2-carboxylic anhydride is 228.0535 g/mol.
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