Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate
TL;DR: Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate (CAS 52600-52-9) 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 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate
Also Known As: Ethyl cdmop, Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate, Ethyl 5-cyano-6-hydroxy-2-methylnicotinate, ethyl 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate, ethyl 5-cyano-6-hydroxy-2-methylpyridine-3-carboxylate
| Molecular Formula | C10H10N2O3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 0.7317 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.06914 |
| Heavy Atoms | 15 |
| Complexity | 482.42136 |
Chemical Identifiers
| CAS Number | 52600-52-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)C(=C1)C#N)C |
Product Overview
Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate (CAS 52600-52-9), with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol. IUPAC: ethyl 5-cyano-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate
Property Insights of Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate
The XLogP value of 0.7317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate. The TPSA of 82.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate 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 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate?
The CAS number of Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate is 52600-52-9.
What is the molecular formula of Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate?
The molecular formula of Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate is C10H10N2O3.
What is the molecular weight of Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate?
The molecular weight of Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate is 206.07 g/mol.
Where can I buy Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate?
You can request a quote for Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.