Pyridinium trifluoroacetate
TL;DR: Pyridinium trifluoroacetate (CAS 464-05-1) is a chemical compound with molecular formula C7H6F3NO2 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridine;2,2,2-trifluoroacetic acid
Also Known As: Pyridine trifluoroacetate, Pyridinium trifluoroacetate, Pyridine 2,2,2-trifluoroacetate, pyridine; trifluoroacetic acid, Pyridinetrifluoroacetate
| Molecular Formula | C7H6F3NO2 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 1.7149 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.03506 |
| Heavy Atoms | 13 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 464-05-1 |
|---|---|
| SMILES | C1=CC=NC=C1.C(=O)(C(F)(F)F)O |
| InChIKey | NRTYMEPCRDJMPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridinium trifluoroacetate (CAS 464-05-1), with molecular formula C7H6F3NO2 and molecular weight 193.04 g/mol. IUPAC: pyridine;2,2,2-trifluoroacetic acid.
Chemical Property Profile of Pyridinium trifluoroacetate
Property Insights of Pyridinium trifluoroacetate
The XLogP value of 1.7149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium trifluoroacetate. With a topological polar surface area (TPSA) of 50.2 Ų, Pyridinium trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium trifluoroacetate has 1 hydrogen bond donor(s) and 6 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 Pyridinium trifluoroacetate?
The CAS number of Pyridinium trifluoroacetate is 464-05-1.
What is the molecular formula of Pyridinium trifluoroacetate?
The molecular formula of Pyridinium trifluoroacetate is C7H6F3NO2.
What is the molecular weight of Pyridinium trifluoroacetate?
The molecular weight of Pyridinium trifluoroacetate is 193.04 g/mol.
Where can I buy Pyridinium trifluoroacetate?
You can request a quote for Pyridinium trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.