TL;DR: 3-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine (CAS 100553-56-8) is a chemical compound with molecular formula C10H12N4O2 and molecular weight 220.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
Also Known As: 1-(5-pyridylmethyl)-2-(nitromethylene)imidazolidine, 3-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine, 1-(pyridin-3-yl-methyl)-2-nitromethylene-imidazolidine, 3-((2-(Nitromethylene)-1-imidazolidinyl)methyl)pyridine, 3-{[2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H12N4O2 |
| Molecular Weight | 220.09602 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.09602 Da |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
| SMILES | C1CN(C(=C[N+](=O)[O-])N1)CC2=CN=CC=C2 |
| InChIKey | PWHOPRHAWMKNIM-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine. Following Lipinski's Rule of Five, 3-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine has 1 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 3-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine is 100553-56-8.
The molecular formula of 3-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine is C10H12N4O2.
The molecular weight of 3-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine is 220.09602 g/mol.
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