TL;DR: 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile (CAS 1380540-77-1) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile
Also Known As: 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile, starbld0035266, 2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile, 4CN-2512, 2,3-dihydro-4-hydroxy-2-oxoindole-3-acetonitrile
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.05858 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.05858 Da |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
| SMILES | C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O |
| InChIKey | KJLUDHCNWCIINR-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile is 1380540-77-1.
The molecular formula of 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile is C10H8N2O2.
The molecular weight of 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile is 188.05858 g/mol.
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