TL;DR: Pyridine, 4-nitroso-, 1-oxide (CAS 1586-47-6) is a chemical compound with molecular formula C5H4N2O2 and molecular weight 124.027275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitroso-1-oxidopyridin-1-ium
Also Known As: 4-Nitrosopyridine 1-oxide, 4-nitroso-1-oxidopyridin-1-ium, Pyridine, 4-nitroso-, 1-oxide, 4-nitrosopyridine N-oxide, Pyridine, 4-nitroso-,1-oxide
| Molecular Formula | C5H4N2O2 |
| Molecular Weight | 124.027275 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 54.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.027275 Da |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
| SMILES | C1=C[N+](=CC=C1N=O)[O-] |
| InChIKey | XCDZOYYDXOVSBF-UHFFFAOYSA-N |
The XLogP value of -0.8 indicates that Pyridine, 4-nitroso-, 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.9 Ų, Pyridine, 4-nitroso-, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 4-nitroso-, 1-oxide has 0 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 Pyridine, 4-nitroso-, 1-oxide is 1586-47-6.
The molecular formula of Pyridine, 4-nitroso-, 1-oxide is C5H4N2O2.
The molecular weight of Pyridine, 4-nitroso-, 1-oxide is 124.027275 g/mol.
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