TL;DR: Pyridine, 2,3,4,5-tetrahydro-3-methyl- (CAS 121525-85-7) is a chemical compound with molecular formula C6H11N and molecular weight 97.08915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2,3,4,5-tetrahydropyridine
Also Known As: Pyridine, 2,3,4,5-tetrahydro-3-methyl-, 3-methyl-2,3,4,5-tetrahydropyridine, 2,3,4,5-Tetrahydro-3-methylpyridine, J1.562.101J
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H11N |
| Molecular Weight | 97.08915 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 97.08915 Da |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
| SMILES | CC1CCC=NC1 |
| InChIKey | VSSFFPFICOEXJI-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 2,3,4,5-tetrahydro-3-methyl-. With a topological polar surface area (TPSA) of 12.4 Ų, Pyridine, 2,3,4,5-tetrahydro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 2,3,4,5-tetrahydro-3-methyl- 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 Pyridine, 2,3,4,5-tetrahydro-3-methyl- is 121525-85-7.
The molecular formula of Pyridine, 2,3,4,5-tetrahydro-3-methyl- is C6H11N.
The molecular weight of Pyridine, 2,3,4,5-tetrahydro-3-methyl- is 97.08915 g/mol.
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