TL;DR: [2-(2-Chloro-5-nitropyridin-4-yl)vinyl]dimethylamine (CAS 142078-36-2) is a chemical compound with molecular formula C9H10ClN3O2 and molecular weight 227.04616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chloro-5-nitro-4-pyridinyl)-N,N-dimethylethenamine
Also Known As: [2-(2-Chloro-5-nitropyridin-4-yl)vinyl]dimethylamine, (E)-2-(2-chloro-5-nitropyridin-4-yl)-N,N-dimethylethenamine, [2-(2-chloro-5-nitropyridin-4-yl)ethenyl]dimethylamine, Ethenamine, 2-(2-chloro-5-nitro-4-pyridinyl)-N,N-dimethyl-, [2-(2-chloro-5-nitro-pyridin-4-yl)-vinyl]-dimethyl-amine
| Molecular Formula | C9H10ClN3O2 |
| Molecular Weight | 227.04616 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.04616 Da |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
| SMILES | CN(C)C=CC1=CC(=NC=C1[N+](=O)[O-])Cl |
| InChIKey | ZKXSBZKRONWVMK-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2-Chloro-5-nitropyridin-4-yl)vinyl]dimethylamine. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-Chloro-5-nitropyridin-4-yl)vinyl]dimethylamine. Following Lipinski's Rule of Five, [2-(2-Chloro-5-nitropyridin-4-yl)vinyl]dimethylamine has 0 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 [2-(2-Chloro-5-nitropyridin-4-yl)vinyl]dimethylamine is 142078-36-2.
The molecular formula of [2-(2-Chloro-5-nitropyridin-4-yl)vinyl]dimethylamine is C9H10ClN3O2.
The molecular weight of [2-(2-Chloro-5-nitropyridin-4-yl)vinyl]dimethylamine is 227.04616 g/mol.
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