TL;DR: Dimethyl [3,3'-bipyridine]-5,5'-dicarboxylate (CAS 128612-43-1) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-(5-methoxycarbonyl-3-pyridinyl)pyridine-3-carboxylate
Also Known As: Dimethyl [3,3'-bipyridine]-5,5'-dicarboxylate, Dimethyl 3,3'-Bipyridine-5,5'-dicarboxylate, dimethyl 3,3-bipyridine-5,5-dicarboxylate, methyl 5-(5-methoxycarbonylpyridin-3-yl)pyridine-3-carboxylate, Dimethyl 5,5'-bipyridine-3,3'-dicarboxylate
| Molecular Formula | C14H12N2O4 |
| Molecular Weight | 272.0797 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.0797 Da |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
| SMILES | COC(=O)C1=CN=CC(=C1)C2=CC(=CN=C2)C(=O)OC |
| InChIKey | FHLQRZZILYBCDV-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl [3,3'-bipyridine]-5,5'-dicarboxylate. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl [3,3'-bipyridine]-5,5'-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl [3,3'-bipyridine]-5,5'-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dimethyl [3,3'-bipyridine]-5,5'-dicarboxylate is 128612-43-1.
The molecular formula of Dimethyl [3,3'-bipyridine]-5,5'-dicarboxylate is C14H12N2O4.
The molecular weight of Dimethyl [3,3'-bipyridine]-5,5'-dicarboxylate is 272.0797 g/mol.
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