TL;DR: (4Z)-1-(5-bromopyridin-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione (CAS 425424-94-8) is a chemical compound with molecular formula C22H14BrN3O5 and molecular weight 479.0117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-1-(5-bromo-2-pyridinyl)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: (4Z)-1-(5-bromopyridin-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione, 1-(5-bromopyridin-2-yl)-4-(hydroxy-phenyl-methylidene)-5-(2-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C22H14BrN3O5 |
| Molecular Weight | 479.0117 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 479.0117 Da |
| Heavy Atoms | 31 |
| Complexity | 761.0 |
| SMILES | C1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NC=C(C=C3)Br)C4=CC=CC=C4[N+](=O)[O-])/O |
| InChIKey | ZNOLICLNGBVYTO-ZZEZOPTASA-N |
The XLogP value of 4.3 indicates that (4Z)-1-(5-bromopyridin-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-1-(5-bromopyridin-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4Z)-1-(5-bromopyridin-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4Z)-1-(5-bromopyridin-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione is 425424-94-8.
The molecular formula of (4Z)-1-(5-bromopyridin-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione is C22H14BrN3O5.
The molecular weight of (4Z)-1-(5-bromopyridin-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione is 479.0117 g/mol.
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