Ethyl 3-pyridylacetate
TL;DR: Ethyl 3-pyridylacetate (CAS 39931-77-6) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-pyridin-3-ylacetate
Also Known As: Ethyl 3-pyridylacetate, ethyl 2-(pyridin-3-yl)acetate, Ethyl 3-pyridineacetate, 3-Pyridineacetic acid, ethyl ester, ethyl 2-pyridin-3-ylacetate
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.07898 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.07898 Da |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| SMILES | CCOC(=O)CC1=CN=CC=C1 |
| InChIKey | RPWXYCRIAGBAGY-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-pyridylacetate
Property Insights of Ethyl 3-pyridylacetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-pyridylacetate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 3-pyridylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-pyridylacetate 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
What is the CAS number of Ethyl 3-pyridylacetate?
The CAS number of Ethyl 3-pyridylacetate is 39931-77-6.
What is the molecular formula of Ethyl 3-pyridylacetate?
The molecular formula of Ethyl 3-pyridylacetate is C9H11NO2.
What is the molecular weight of Ethyl 3-pyridylacetate?
The molecular weight of Ethyl 3-pyridylacetate is 165.07898 g/mol.
Where can I buy Ethyl 3-pyridylacetate?
You can request a quote for Ethyl 3-pyridylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-pyridylacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-pyridylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.