Ethyl 3-Aminoisonicotinate
TL;DR: Ethyl 3-Aminoisonicotinate (CAS 934-05-4) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-aminopyridine-4-carboxylate
Also Known As: ethyl 3-aminoisonicotinate, Ethyl 3-amino-4-pyridinecarboxylate, 3-Amino-isonicotinic acid ethyl ester, Ethyl 3-aminopyridine-4-carboxylate, null
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 0.8405 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 286.14127 |
Chemical Identifiers
| CAS Number | 934-05-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=NC=C1)N |
Product Overview
Ethyl 3-Aminoisonicotinate (CAS 934-05-4), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: ethyl 3-aminopyridine-4-carboxylate.
Chemical Property Profile of Ethyl 3-Aminoisonicotinate
Property Insights of Ethyl 3-Aminoisonicotinate
The XLogP value of 0.8405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-Aminoisonicotinate. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-Aminoisonicotinate. Following Lipinski's Rule of Five, Ethyl 3-Aminoisonicotinate 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-Aminoisonicotinate?
The CAS number of Ethyl 3-Aminoisonicotinate is 934-05-4.
What is the molecular formula of Ethyl 3-Aminoisonicotinate?
The molecular formula of Ethyl 3-Aminoisonicotinate is C8H10N2O2.
What is the molecular weight of Ethyl 3-Aminoisonicotinate?
The molecular weight of Ethyl 3-Aminoisonicotinate is 166.07 g/mol.
Where can I buy Ethyl 3-Aminoisonicotinate?
You can request a quote for Ethyl 3-Aminoisonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-Aminoisonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-Aminoisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.