TL;DR: 5-Nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione (CAS 152265-44-6) is a chemical compound with molecular formula C14H9N3O4 and molecular weight 283.0593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
Also Known As: 5-nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione, AB00096494-01, 5-nitro-2-(pyridin-3-ylmethyl)-1H-isoindole-1,3(2H)-dione, 5-nitro-2-(3-pyridylmethyl)-1H-isoindole-1,3 (2H)-dione, Cambridge id 5774128
| Molecular Formula | C14H9N3O4 |
| Molecular Weight | 283.0593 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 96.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.0593 Da |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
| SMILES | C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | GAUNFWFOWZDLPI-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 5-Nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione 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 5-Nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione is 152265-44-6.
The molecular formula of 5-Nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione is C14H9N3O4.
The molecular weight of 5-Nitro-2-(pyridin-3-ylmethyl)isoindole-1,3-dione is 283.0593 g/mol.
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