TL;DR: 3-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine (CAS 116855-03-9) is a chemical compound with molecular formula C7H6BrN3 and molecular weight 210.9745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-1-methylpyrazolo[5,4-b]pyridine
Also Known As: 3-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine, 3-bromo-1-methylpyrazolo[3,4-b]pyridine, 1H-Pyrazolo[3,4-b]pyridine, 3-bromo-1-methyl-, 3-bromo-1-methyl-pyrazolo[3,4-b]pyridine, 3-bromo-1-methylpyrazolo<3,4-b>pyridine
| Molecular Formula | C7H6BrN3 |
| Molecular Weight | 210.9745 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.9745 Da |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
| SMILES | CN1C2=C(C=CC=N2)C(=N1)Br |
| InChIKey | BVDWIHGOGVWCCJ-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine. With a topological polar surface area (TPSA) of 30.7 Ų, 3-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine is 116855-03-9.
The molecular formula of 3-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine is C7H6BrN3.
The molecular weight of 3-bromo-1-methyl-1H-pyrazolo[3,4-b]pyridine is 210.9745 g/mol.
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