TL;DR: 3-pyrrol-1-ylpyridine-4-carboxylic Acid (CAS 153716-51-9) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-pyrrol-1-ylpyridine-4-carboxylic acid
Also Known As: 3-pyrrol-1-ylpyridine-4-carboxylic Acid, 3-(1H-pyrrol-1-yl)pyridine-4-carboxylic acid, 3-(1H-Pyrrol-1-yl)isonicotinic acid, 3-(Pyrrolidin-1-yl)isonicotinic acid, 3-((1H)-Pyrrol-1-yl)-4-pyridinecarboxylicacid
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.05858 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05858 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | C1=CN(C=C1)C2=C(C=CN=C2)C(=O)O |
| InChIKey | REIAJEVJCAYSBA-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-pyrrol-1-ylpyridine-4-carboxylic Acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-pyrrol-1-ylpyridine-4-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-pyrrol-1-ylpyridine-4-carboxylic Acid has 1 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 3-pyrrol-1-ylpyridine-4-carboxylic Acid is 153716-51-9.
The molecular formula of 3-pyrrol-1-ylpyridine-4-carboxylic Acid is C10H8N2O2.
The molecular weight of 3-pyrrol-1-ylpyridine-4-carboxylic Acid is 188.05858 g/mol.
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