TL;DR: 1-Hydroxy-4-nitroquinolinium (CAS 1045069-04-2) is a chemical compound with molecular formula C9H7N2O3+ and molecular weight 191.04567 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-4-nitroquinolin-1-ium
Also Known As: 1-hydroxy-4-nitro-quinoline, 1-hydroxy-4-nitroquinolin-1-ium, 1-HYDROXY-4-NITROQUINOLINIUM
| Molecular Formula | C9H7N2O3+ |
| Molecular Weight | 191.04567 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 69.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.04567 Da |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC=[N+]2O)[N+](=O)[O-] |
| InChIKey | SGDFQASLHPNLLD-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-4-nitroquinolinium. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxy-4-nitroquinolinium. Following Lipinski's Rule of Five, 1-Hydroxy-4-nitroquinolinium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Hydroxy-4-nitroquinolinium is 1045069-04-2.
The molecular formula of 1-Hydroxy-4-nitroquinolinium is C9H7N2O3+.
The molecular weight of 1-Hydroxy-4-nitroquinolinium is 191.04567 g/mol.
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