TL;DR: 7-nitro-1H-indole-3-carbaldehyde (CAS 10553-14-7) is a chemical compound with molecular formula C9H6N2O3 and molecular weight 190.03784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-nitro-1H-indole-3-carbaldehyde
Also Known As: 7-Nitroindole-3-carboxyaldehyde, 7-nitro-1H-indole-3-carbaldehyde, 7-Nitroindole-3-carboxaldehyde, Hinesol, 3-Formyl-7-nitroindole
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.03784 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.03784 Da |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2C=O |
| InChIKey | ADGKBVRTGVODMM-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-nitro-1H-indole-3-carbaldehyde. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-nitro-1H-indole-3-carbaldehyde. Following Lipinski's Rule of Five, 7-nitro-1H-indole-3-carbaldehyde has 1 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 7-nitro-1H-indole-3-carbaldehyde is 10553-14-7.
The molecular formula of 7-nitro-1H-indole-3-carbaldehyde is C9H6N2O3.
The molecular weight of 7-nitro-1H-indole-3-carbaldehyde is 190.03784 g/mol.
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