TL;DR: 1-(2-Chloro-phenyl)-1H-pyrrole-2-carbaldehyde (CAS 124695-22-3) is a chemical compound with molecular formula C11H8ClNO and molecular weight 205.02943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chlorophenyl)pyrrole-2-carbaldehyde
Also Known As: 1-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde, 1-(2-Chloro-phenyl)-1H-pyrrole-2-carbaldehyde, 1-(2-chlorophenyl)pyrrole-2-carbaldehyde, 3119AD, 1H-Pyrrole-2-carboxaldehyde, 1-(2-chlorophenyl)-
| Molecular Formula | C11H8ClNO |
| Molecular Weight | 205.02943 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.02943 Da |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
| SMILES | C1=CC=C(C(=C1)N2C=CC=C2C=O)Cl |
| InChIKey | ZGGBSDXOHAFIOQ-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloro-phenyl)-1H-pyrrole-2-carbaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 1-(2-Chloro-phenyl)-1H-pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-phenyl)-1H-pyrrole-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 1-(2-Chloro-phenyl)-1H-pyrrole-2-carbaldehyde is 124695-22-3.
The molecular formula of 1-(2-Chloro-phenyl)-1H-pyrrole-2-carbaldehyde is C11H8ClNO.
The molecular weight of 1-(2-Chloro-phenyl)-1H-pyrrole-2-carbaldehyde is 205.02943 g/mol.
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