5-Trifluoropentoxypicolinic acid
TL;DR: 5-Trifluoropentoxypicolinic acid (CAS 72133-44-9) is a chemical compound with molecular formula C11H12F3NO3 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5,5,5-trifluoropentoxy)pyridine-2-carboxylic acid
Also Known As: 5-Trifluoropentoxypicolinic acid, 5-TFPOP, ND186H5, Trifluoropentoxypicolinic acid, ND-186 H-5
| Molecular Formula | C11H12F3NO3 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.07693 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 72133-44-9 |
|---|---|
| SMILES | C1=CC(=NC=C1OCCCCC(F)(F)F)C(=O)O |
| InChIKey | OMYLZYZQGXVCJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Trifluoropentoxypicolinic acid (CAS 72133-44-9), with molecular formula C11H12F3NO3 and molecular weight 263.08 g/mol. IUPAC: 5-(5,5,5-trifluoropentoxy)pyridine-2-carboxylic acid.
Chemical Property Profile of 5-Trifluoropentoxypicolinic acid
Property Insights of 5-Trifluoropentoxypicolinic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Trifluoropentoxypicolinic acid. With a topological polar surface area (TPSA) of 59.4 Ų, 5-Trifluoropentoxypicolinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Trifluoropentoxypicolinic acid has 1 hydrogen bond donor(s) and 7 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 5-Trifluoropentoxypicolinic acid?
The CAS number of 5-Trifluoropentoxypicolinic acid is 72133-44-9.
What is the molecular formula of 5-Trifluoropentoxypicolinic acid?
The molecular formula of 5-Trifluoropentoxypicolinic acid is C11H12F3NO3.
What is the molecular weight of 5-Trifluoropentoxypicolinic acid?
The molecular weight of 5-Trifluoropentoxypicolinic acid is 263.08 g/mol.
Where can I buy 5-Trifluoropentoxypicolinic acid?
You can request a quote for 5-Trifluoropentoxypicolinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Trifluoropentoxypicolinic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Trifluoropentoxypicolinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.