2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate
TL;DR: 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate (CAS 875161-84-5) is a chemical compound with molecular formula C12H9ClN2O3 and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 6-chloropyridine-3-carboxylate
Also Known As: 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate, [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 6-chloropyridine-3-carboxylate
| Molecular Formula | C12H9ClN2O3 |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 2.1028 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.03018 |
| Heavy Atoms | 18 |
| Complexity | 549.2113 |
Chemical Identifiers
| CAS Number | 875161-84-5 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl |
Product Overview
2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate (CAS 875161-84-5), with molecular formula C12H9ClN2O3 and molecular weight 264.03 g/mol. IUPAC: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 6-chloropyridine-3-carboxylate.
Chemical Property Profile of 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate
Property Insights of 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate
The XLogP value of 2.1028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate 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 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate?
The CAS number of 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate is 875161-84-5.
What is the molecular formula of 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate?
The molecular formula of 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate is C12H9ClN2O3.
What is the molecular weight of 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate?
The molecular weight of 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate is 264.03 g/mol.
Where can I buy 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate?
You can request a quote for 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(1H-pyrrol-2-yl)ethyl 6-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.