TL;DR: 2-(2,3-Dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile (CAS 252059-97-5) is a chemical compound with molecular formula C18H9Cl2FN2O and molecular weight 358.0076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
Also Known As: Bionet1_001329, 2-(2,3-dichlorophenoxy)-6-(4-fluorophenyl)nicotinonitrile, 2-(2,3-dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile, 10H-539S, C18H9Cl2FN2O
| Molecular Formula | C18H9Cl2FN2O |
| Molecular Weight | 358.0076 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.0076 Da |
| Heavy Atoms | 24 |
| Complexity | 463.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)OC2=C(C=CC(=N2)C3=CC=C(C=C3)F)C#N |
| InChIKey | GPKXMELOBGYSBD-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 2-(2,3-Dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.9 Ų, 2-(2,3-Dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3-Dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2,3-Dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile is 252059-97-5.
The molecular formula of 2-(2,3-Dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile is C18H9Cl2FN2O.
The molecular weight of 2-(2,3-Dichlorophenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile is 358.0076 g/mol.
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