TL;DR: 6-(3-methylphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione (CAS 152751-77-4) is a chemical compound with molecular formula C14H10N2O2 and molecular weight 238.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
Also Known As: BAS 02982052, 6-m-Tolyl-pyrrolo[3,4-b]pyridine-5,7-dione, EC-000.1118, 6-(3-methylphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(3-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
| Molecular Formula | C14H10N2O2 |
| Molecular Weight | 238.07423 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 50.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.07423 Da |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)N=CC=C3 |
| InChIKey | FDTNEQNESGVVHH-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3-methylphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione. With a topological polar surface area (TPSA) of 50.3 Ų, 6-(3-methylphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(3-methylphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(3-methylphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione is 152751-77-4.
The molecular formula of 6-(3-methylphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione is C14H10N2O2.
The molecular weight of 6-(3-methylphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione is 238.07423 g/mol.
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