TL;DR: 3-Chloro-2-N-(3-chloro-2,6-dinitro-4-?(trifluoromethyl)phenyl)-6-N-methyl-5-?(trifluoromethyl)pyridine-2,6-diamine (CAS 133229-96-6) is a chemical compound with molecular formula C14H7Cl2F6N5O4 and molecular weight 492.97794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-N-methyl-5-(trifluoromethyl)pyridine-2,6-diamine
Also Known As: 3-Chloro-2-N-(3-chloro-2,6-dinitro-4-?(trifluoromethyl)phenyl)-6-N-methyl-5-?(trifluoromethyl)pyridine-2,6-diamine, 3-chloro-2-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-N-methyl-5-(trifluoromethyl)pyridine-2,6-diamine, 3-Chloro-6-methylamino-5-trifluoromethyl-N-(3-chloro-4-trifluoromethyl-2,6-dinitrophenyl)pyridin-2-amine, 3-Chloro-N~2~-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-N~6~-methyl-5-(trifluoromethyl)pyridine-2,6-diamine, 3-chloro-N2-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-N6-methyl-5-(trifluoromethyl)pyridine-2,6-diamine
| Molecular Formula | C14H7Cl2F6N5O4 |
| Molecular Weight | 492.97794 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.97794 Da |
| Heavy Atoms | 31 |
| Complexity | 676.0 |
| SMILES | CNC1=NC(=C(C=C1C(F)(F)F)Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | JYRXIDDMOJYCNX-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that 3-Chloro-2-N-(3-chloro-2,6-dinitro-4-?(trifluoromethyl)phenyl)-6-N-methyl-5-?(trifluoromethyl)pyridine-2,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-2-N-(3-chloro-2,6-dinitro-4-?(trifluoromethyl)phenyl)-6-N-methyl-5-?(trifluoromethyl)pyridine-2,6-diamine. Following Lipinski's Rule of Five, 3-Chloro-2-N-(3-chloro-2,6-dinitro-4-?(trifluoromethyl)phenyl)-6-N-methyl-5-?(trifluoromethyl)pyridine-2,6-diamine has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-Chloro-2-N-(3-chloro-2,6-dinitro-4-?(trifluoromethyl)phenyl)-6-N-methyl-5-?(trifluoromethyl)pyridine-2,6-diamine is 133229-96-6.
The molecular formula of 3-Chloro-2-N-(3-chloro-2,6-dinitro-4-?(trifluoromethyl)phenyl)-6-N-methyl-5-?(trifluoromethyl)pyridine-2,6-diamine is C14H7Cl2F6N5O4.
The molecular weight of 3-Chloro-2-N-(3-chloro-2,6-dinitro-4-?(trifluoromethyl)phenyl)-6-N-methyl-5-?(trifluoromethyl)pyridine-2,6-diamine is 492.97794 g/mol.
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