Ethyl 2,6-dibromopyridine-4-carboxylate
TL;DR: Ethyl 2,6-dibromopyridine-4-carboxylate (CAS 90050-70-7) is a chemical compound with molecular formula C8H7Br2NO2 and molecular weight 306.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,6-dibromopyridine-4-carboxylate
Also Known As: Ethyl 2,6-dibromopyridine-4-carboxylate, Ethyl 2,6-dibromoisonicotinate, Ethyl2,6-dibromoisonicotinate, ethyl-2,6-dibromoisonicotinate, 2,6-Dibromoisonicotinic acid ethyl ester
| Molecular Formula | C8H7Br2NO2 |
|---|---|
| Molecular Weight | 306.88 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.88434 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 90050-70-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NC(=C1)Br)Br |
| InChIKey | NXSFXTCLCJXWDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,6-dibromopyridine-4-carboxylate (CAS 90050-70-7), with molecular formula C8H7Br2NO2 and molecular weight 306.88 g/mol. IUPAC: ethyl 2,6-dibromopyridine-4-carboxylate.
Chemical Property Profile of Ethyl 2,6-dibromopyridine-4-carboxylate
Property Insights of Ethyl 2,6-dibromopyridine-4-carboxylate
The XLogP value of 3.1 indicates that Ethyl 2,6-dibromopyridine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 2,6-dibromopyridine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,6-dibromopyridine-4-carboxylate has 0 hydrogen bond donor(s) and 3 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-dibromopyridine-4-carboxylate?
The CAS number of Ethyl 2,6-dibromopyridine-4-carboxylate is 90050-70-7.
What is the molecular formula of Ethyl 2,6-dibromopyridine-4-carboxylate?
The molecular formula of Ethyl 2,6-dibromopyridine-4-carboxylate is C8H7Br2NO2.
What is the molecular weight of Ethyl 2,6-dibromopyridine-4-carboxylate?
The molecular weight of Ethyl 2,6-dibromopyridine-4-carboxylate is 306.88 g/mol.
Where can I buy Ethyl 2,6-dibromopyridine-4-carboxylate?
You can request a quote for Ethyl 2,6-dibromopyridine-4-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-dibromopyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,6-dibromopyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.