TL;DR: 3-Nitroimidazo[1,2-a]pyridine (CAS 1212119-77-1) is a chemical compound with molecular formula C7H5N3O2 and molecular weight 163.03818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitroimidazo[1,2-a]pyridine
Also Known As: 3-nitroimidazo[1,2-a]pyridine, Maybridge1_005651, 3-nitroimidazo[1,2-a]pyridin, NCIOpen2_001366, DivK1c_001939
| Molecular Formula | C7H5N3O2 |
| Molecular Weight | 163.03818 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 63.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.03818 Da |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| SMILES | C1=CC2=NC=C(N2C=C1)[N+](=O)[O-] |
| InChIKey | WYDBFRQNRYIZSL-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitroimidazo[1,2-a]pyridine. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitroimidazo[1,2-a]pyridine. Following Lipinski's Rule of Five, 3-Nitroimidazo[1,2-a]pyridine 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 3-Nitroimidazo[1,2-a]pyridine is 1212119-77-1.
The molecular formula of 3-Nitroimidazo[1,2-a]pyridine is C7H5N3O2.
The molecular weight of 3-Nitroimidazo[1,2-a]pyridine is 163.03818 g/mol.
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