2-(Nitrooxy)ethyl 3-pyridinecarboxylate
TL;DR: 2-(Nitrooxy)ethyl 3-pyridinecarboxylate (CAS 207571-58-2) is a chemical compound with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrooxyethyl pyridine-3-carboxylate
Also Known As: Nicorandil Impurity 17, Nicorandil Impurity 19, 2-nitroxyethyl nicotinate, 2-(nitrooxy)ethyl nicotinate, 2-{nitrooxy}ethyl nicotinate
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 0.4467 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 340.14508 |
Chemical Identifiers
| CAS Number | 207571-58-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCO[N+](=O)[O-] |
Product Overview
2-(Nitrooxy)ethyl 3-pyridinecarboxylate (CAS 207571-58-2), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: 2-nitrooxyethyl pyridine-3-carboxylate.
Chemical Property Profile of 2-(Nitrooxy)ethyl 3-pyridinecarboxylate
Property Insights of 2-(Nitrooxy)ethyl 3-pyridinecarboxylate
The XLogP value of 0.4467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Nitrooxy)ethyl 3-pyridinecarboxylate. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Nitrooxy)ethyl 3-pyridinecarboxylate. Following Lipinski's Rule of Five, 2-(Nitrooxy)ethyl 3-pyridinecarboxylate has 0 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 2-(Nitrooxy)ethyl 3-pyridinecarboxylate?
The CAS number of 2-(Nitrooxy)ethyl 3-pyridinecarboxylate is 207571-58-2.
What is the molecular formula of 2-(Nitrooxy)ethyl 3-pyridinecarboxylate?
The molecular formula of 2-(Nitrooxy)ethyl 3-pyridinecarboxylate is C8H8N2O5.
What is the molecular weight of 2-(Nitrooxy)ethyl 3-pyridinecarboxylate?
The molecular weight of 2-(Nitrooxy)ethyl 3-pyridinecarboxylate is 212.04 g/mol.
Where can I buy 2-(Nitrooxy)ethyl 3-pyridinecarboxylate?
You can request a quote for 2-(Nitrooxy)ethyl 3-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Nitrooxy)ethyl 3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Nitrooxy)ethyl 3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.