Methyl 3-methyl-4-pyridinecarboxylate
TL;DR: Methyl 3-methyl-4-pyridinecarboxylate (CAS 116985-92-3) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-methylpyridine-4-carboxylate
Also Known As: methyl 3-methylisonicotinate, Methyl 3-methylpyridine-4-carboxylate, METHYL 3-METHYL-4-PYRIDINECARBOXYLATE, Etoricoxib Impurity 73, methyl3-methylisonicotinate
Technical Specifications
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.06332 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.06332 Da |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
| SMILES | CC1=C(C=CN=C1)C(=O)OC |
| InChIKey | UWOZODSMOOALPG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-methyl-4-pyridinecarboxylate
Property Insights of Methyl 3-methyl-4-pyridinecarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-4-pyridinecarboxylate. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 3-methyl-4-pyridinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-4-pyridinecarboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-methyl-4-pyridinecarboxylate?
The CAS number of Methyl 3-methyl-4-pyridinecarboxylate is 116985-92-3.
What is the molecular formula of Methyl 3-methyl-4-pyridinecarboxylate?
The molecular formula of Methyl 3-methyl-4-pyridinecarboxylate is C8H9NO2.
What is the molecular weight of Methyl 3-methyl-4-pyridinecarboxylate?
The molecular weight of Methyl 3-methyl-4-pyridinecarboxylate is 151.06332 g/mol.
Where can I buy Methyl 3-methyl-4-pyridinecarboxylate?
You can request a quote for Methyl 3-methyl-4-pyridinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-methyl-4-pyridinecarboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-methyl-4-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.