TL;DR: 6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS 1169827-28-4) is a chemical compound with molecular formula C12H11FN2O2 and molecular weight 234.08046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 6-fluoro-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid, 6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
| Molecular Formula | C12H11FN2O2 |
| Molecular Weight | 234.08046 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 65.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.08046 Da |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
| SMILES | C1C(NCC2=C1C3=C(N2)C=CC(=C3)F)C(=O)O |
| InChIKey | PCDITRPNXNPTQT-UHFFFAOYSA-N |
The XLogP value of -1.1 indicates that 6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. Following Lipinski's Rule of Five, 6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 1169827-28-4.
The molecular formula of 6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is C12H11FN2O2.
The molecular weight of 6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 234.08046 g/mol.
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