Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate
TL;DR: Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate (CAS 5427-92-9) is a chemical compound with molecular formula C10H9N3O5 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-2-methyl-3-nitro-6-oxo-1H-pyridine-4-carboxylate
Also Known As: ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate, Maybridge1_006098, Ethyl 3-cyano-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-4-carboxylate, ethyl 5-cyano-2-methyl-3-nitro-6-oxo-1H-pyridine-4-carboxylate, 3-Cyan-2-hydroxy-6-methyl-5-nitro-isonicotinsaeure-aethylester
| Molecular Formula | C10H9N3O5 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.05421 |
| Heavy Atoms | 18 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 5427-92-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)NC(=C1[N+](=O)[O-])C)C#N |
| InChIKey | DAZOHUVXTFNNMV-UHFFFAOYSA-N |
Product Overview
Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate (CAS 5427-92-9), with molecular formula C10H9N3O5 and molecular weight 251.05 g/mol. IUPAC: ethyl 5-cyano-2-methyl-3-nitro-6-oxo-1H-pyridine-4-carboxylate.
Chemical Property Profile of Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate
Property Insights of Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate. Following Lipinski's Rule of Five, Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate has 1 hydrogen bond donor(s) and 6 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-2-hydroxy-6-methyl-5-nitroisonicotinate?
The CAS number of Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate is 5427-92-9.
What is the molecular formula of Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate?
The molecular formula of Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate is C10H9N3O5.
What is the molecular weight of Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate?
The molecular weight of Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate is 251.05 g/mol.
Where can I buy Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate?
You can request a quote for Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate 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-2-hydroxy-6-methyl-5-nitroisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.