Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
TL;DR: Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate (CAS 18619-97-1) is a chemical compound with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylate
Also Known As: ethyl 3-cyano-2-hydroxy-6-methylisonicotinate, Maybridge1_006054, ethyl 3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylate, ethyl 3-cyano-2-hydroxy-6-methylpyridine-4-carboxylate, ethyl 3-cyano-1,2-dihydro-6-methyl-2-oxopyridine-4-carboxylate
| Molecular Formula | C10H10N2O3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.06914 |
| Heavy Atoms | 15 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 18619-97-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)NC(=C1)C)C#N |
| InChIKey | RJJRKBMJIICKDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate (CAS 18619-97-1), with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol. IUPAC: ethyl 3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylate.
Chemical Property Profile of Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
Property Insights of Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate?
The CAS number of Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate is 18619-97-1.
What is the molecular formula of Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate?
The molecular formula of Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate is C10H10N2O3.
What is the molecular weight of Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate?
The molecular weight of Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate is 206.07 g/mol.
Where can I buy Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate?
You can request a quote for Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.