TL;DR: Cinchoninic acid, 6-methyl-2-(3-pyridyl)- (CAS 5110-02-1) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
Also Known As: agoniadin, 6-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid, 6-methyl-2-(pyridin-3-yl)quinoline-4-carboxylic acid, 6-Methyl-2-(3-pyridyl)cinchoninic acid, CHEMBRDG-BB 3013505
| Molecular Formula | C16H12N2O2 |
| Molecular Weight | 264.08987 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.08987 Da |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
| SMILES | CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CN=CC=C3 |
| InChIKey | YVJIAXLVVRQUJP-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinchoninic acid, 6-methyl-2-(3-pyridyl)-. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinchoninic acid, 6-methyl-2-(3-pyridyl)-. Following Lipinski's Rule of Five, Cinchoninic acid, 6-methyl-2-(3-pyridyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cinchoninic acid, 6-methyl-2-(3-pyridyl)- is 5110-02-1.
The molecular formula of Cinchoninic acid, 6-methyl-2-(3-pyridyl)- is C16H12N2O2.
The molecular weight of Cinchoninic acid, 6-methyl-2-(3-pyridyl)- is 264.08987 g/mol.
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