TL;DR: 7-bromo-4-nitro-1H-imidazo[4,5-c]pyridin-2(3H)-one (CAS 161836-04-0) is a chemical compound with molecular formula C6H3BrN4O3 and molecular weight 257.93884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-bromo-4-nitro-1,3-dihydroimidazo[4,5-c]pyridin-2-one
Also Known As: 7-bromo-4-nitro-1H-imidazo[4,5-c]pyridin-2(3H)-one, 7-Bromo-4-nitro-1,3-dihydro-imidazo[4,5-c]pyridin-2-one, 7-bromo-4-nitro-1,3-dihydroimidazo[4,5-c]pyridin-2-one, 7-bromo-4-nitro-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one
| Molecular Formula | C6H3BrN4O3 |
| Molecular Weight | 257.93884 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 99.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.93884 Da |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
| SMILES | C1=C(C2=C(C(=N1)[N+](=O)[O-])NC(=O)N2)Br |
| InChIKey | UULBJVRSPMYQQT-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-bromo-4-nitro-1H-imidazo[4,5-c]pyridin-2(3H)-one. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-bromo-4-nitro-1H-imidazo[4,5-c]pyridin-2(3H)-one. Following Lipinski's Rule of Five, 7-bromo-4-nitro-1H-imidazo[4,5-c]pyridin-2(3H)-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-bromo-4-nitro-1H-imidazo[4,5-c]pyridin-2(3H)-one is 161836-04-0.
The molecular formula of 7-bromo-4-nitro-1H-imidazo[4,5-c]pyridin-2(3H)-one is C6H3BrN4O3.
The molecular weight of 7-bromo-4-nitro-1H-imidazo[4,5-c]pyridin-2(3H)-one is 257.93884 g/mol.
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