2-Pyridylacetate
TL;DR: 2-Pyridylacetate (CAS 108876-92-2) is a chemical compound with molecular formula C7H6NO2- and molecular weight 136.03986 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyridin-2-ylacetate
Also Known As: 2-Pyridylacetate, 2-pyridin-2-ylacetate, 2-PYRIDYLACETICACID
Technical Specifications
| Molecular Formula | C7H6NO2- |
| Molecular Weight | 136.03986 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.03986 Da |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
| SMILES | C1=CC=NC(=C1)CC(=O)[O-] |
| InChIKey | BPSNETAIJADFTO-UHFFFAOYSA-M |
Chemical Property Profile of 2-Pyridylacetate
Property Insights of 2-Pyridylacetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridylacetate. With a topological polar surface area (TPSA) of 53.0 Ų, 2-Pyridylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Pyridylacetate?
The CAS number of 2-Pyridylacetate is 108876-92-2.
What is the molecular formula of 2-Pyridylacetate?
The molecular formula of 2-Pyridylacetate is C7H6NO2-.
What is the molecular weight of 2-Pyridylacetate?
The molecular weight of 2-Pyridylacetate is 136.03986 g/mol.
Where can I buy 2-Pyridylacetate?
You can request a quote for 2-Pyridylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Pyridylacetate?
Yes, CoreyChem provides custom synthesis services for 2-Pyridylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.