TL;DR: 5-Methyl-2-prop-1-en-2-ylpyridine (CAS 102879-27-6) is a chemical compound with molecular formula C9H11N and molecular weight 133.08914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-prop-1-en-2-ylpyridine
Also Known As: 2-Isopropenyl-5-methylpyridine, 5-methyl-2-prop-1-en-2-ylpyridine, 2-Isopropenyl-5-methylpyridine #, Pyridine, 5-methyl-2-(1-methylethenyl)- (9CI), Pyridine, 3-methyl-6-(1-methylethenyl)-
| Molecular Formula | C9H11N |
| Molecular Weight | 133.08914 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.08914 Da |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
| SMILES | CC1=CN=C(C=C1)C(=C)C |
| InChIKey | XNIIKXROZAQQKR-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-prop-1-en-2-ylpyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 5-Methyl-2-prop-1-en-2-ylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-prop-1-en-2-ylpyridine 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 5-Methyl-2-prop-1-en-2-ylpyridine is 102879-27-6.
The molecular formula of 5-Methyl-2-prop-1-en-2-ylpyridine is C9H11N.
The molecular weight of 5-Methyl-2-prop-1-en-2-ylpyridine is 133.08914 g/mol.
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