TL;DR: 5-Methyl-2-pyrazinecarboxylic acid (CAS 5521-55-1) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methylpyrazine-2-carboxylic acid
Also Known As: 5-Methylpyrazine-2-carboxylic Acid, 5-Methyl-2-pyrazinecarboxylic acid, null, 2-Methylpyrazine-5-carboxylic acid, Pyrazinecarboxylic acid, 5-methyl-
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.04292 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.04292 Da |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
| SMILES | CC1=CN=C(C=N1)C(=O)O |
| InChIKey | RBYJWCRKFLGNDB-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-pyrazinecarboxylic acid. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-pyrazinecarboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-2-pyrazinecarboxylic acid 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 5-Methyl-2-pyrazinecarboxylic acid is 5521-55-1.
The molecular formula of 5-Methyl-2-pyrazinecarboxylic acid is C6H6N2O2.
The molecular weight of 5-Methyl-2-pyrazinecarboxylic acid is 138.04292 g/mol.
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