Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate
TL;DR: Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate (CAS 87005-18-3) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate
Also Known As: ETHYL 2,6-DIMETHYL-5-NITRONICOTINATE, ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate, J1.472.845G, Ethyl 2,6-dimethyl-5-nitro-3-pyridinecarboxylate, Ethyl 2,6-dimethyl-5-nitro-pyridine-3-carboxylate
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 1.78334 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 442.69034 |
Chemical Identifiers
| CAS Number | 87005-18-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(N=C1C)C)[N+](=O)[O-] |
Product Overview
Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate (CAS 87005-18-3), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate.
Chemical Property Profile of Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate
Property Insights of Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate
The XLogP value of 1.78334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 2,6-dimethyl-5-nitropyridine-3-carboxylate?
The CAS number of Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate is 87005-18-3.
What is the molecular formula of Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate?
The molecular formula of Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate is C10H12N2O4.
What is the molecular weight of Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate?
The molecular weight of Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate is 224.08 g/mol.
Where can I buy Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate?
You can request a quote for Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,6-dimethyl-5-nitropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.