Ethyl 5-chloronicotinate
TL;DR: Ethyl 5-chloronicotinate (CAS 5483-22-7) is a chemical compound with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloropyridine-3-carboxylate
Also Known As: Ethyl 5-chloronicotinate, Ethyl 3-chloro-5-pyridinecarboxylate, ethyl 5-chloropyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 5-chloro-, ethyl ester, Ethyl 5-chloro-3-pyridinecarboxylate
| Molecular Formula | C8H8ClNO2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.02435 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 5483-22-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CN=C1)Cl |
| InChIKey | NPPHNBKRBUSDQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-chloronicotinate (CAS 5483-22-7), with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol. IUPAC: ethyl 5-chloropyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-chloronicotinate
Property Insights of Ethyl 5-chloronicotinate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-chloronicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 5-chloronicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-chloronicotinate 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 5-chloronicotinate?
The CAS number of Ethyl 5-chloronicotinate is 5483-22-7.
What is the molecular formula of Ethyl 5-chloronicotinate?
The molecular formula of Ethyl 5-chloronicotinate is C8H8ClNO2.
What is the molecular weight of Ethyl 5-chloronicotinate?
The molecular weight of Ethyl 5-chloronicotinate is 185.02 g/mol.
Where can I buy Ethyl 5-chloronicotinate?
You can request a quote for Ethyl 5-chloronicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-chloronicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chloronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.