TL;DR: 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(2-propen-1-yl)-, methyl ester (CAS 141650-51-3) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-prop-2-enylpyrrolo[2,3-b]pyridine-3-carboxylate
Also Known As: 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(2-propen-1-yl)-, methyl ester, 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-(2-propen-1-yl)-,methyl ester, 1-(2-PROPEN-1-YL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID METHYL ESTER, Methyl 7-prop-2-enyl-5,7-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene-9-carboxylate
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.08987 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.08987 Da |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| SMILES | COC(=O)C1=CN(C2=C1C=CC=N2)CC=C |
| InChIKey | FXROTDHUIIQBMI-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(2-propen-1-yl)-, methyl ester. With a topological polar surface area (TPSA) of 44.1 Ų, 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(2-propen-1-yl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(2-propen-1-yl)-, methyl ester 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 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(2-propen-1-yl)-, methyl ester is 141650-51-3.
The molecular formula of 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(2-propen-1-yl)-, methyl ester is C12H12N2O2.
The molecular weight of 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(2-propen-1-yl)-, methyl ester is 216.08987 g/mol.
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