TL;DR: 3-Chloro-1-methyl-1H-indole-2-carbaldehyde (CAS 126309-77-1) is a chemical compound with molecular formula C10H8ClNO and molecular weight 193.02943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-1-methylindole-2-carbaldehyde
Also Known As: 3-Chloro-1-methyl-1H-indole-2-carbaldehyde, 3-chloro-1-methylindole-2-carbaldehyde, 1H-Indole-2-carboxaldehyde, 3-chloro-1-methyl-, 3-chloro-1-methyl-indole-2-carbaldehyde, 1-Methyl-3-chloro-1H-indole-2-carbaldehyde
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.02943 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.02943 Da |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
| SMILES | CN1C2=CC=CC=C2C(=C1C=O)Cl |
| InChIKey | WGXUSIVWAUMPNX-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-methyl-1H-indole-2-carbaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 3-Chloro-1-methyl-1H-indole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-methyl-1H-indole-2-carbaldehyde has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Chloro-1-methyl-1H-indole-2-carbaldehyde is 126309-77-1.
The molecular formula of 3-Chloro-1-methyl-1H-indole-2-carbaldehyde is C10H8ClNO.
The molecular weight of 3-Chloro-1-methyl-1H-indole-2-carbaldehyde is 193.02943 g/mol.
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