2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate
TL;DR: 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate (CAS 338397-85-6) is a chemical compound with molecular formula C6H4ClF3N2O and molecular weight 212.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-hydroxy-5-(trifluoromethyl)pyridin-2-imine
Also Known As: Bionet2_000262, 2-amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate, 2-amino-3-chloro-5-(trifluoromethyl)pyridin-1-ium-1-olate, 3-chloro-1-hydroxy-5-(trifluoromethyl)pyridin-2-imine, 2H-065
| Molecular Formula | C6H4ClF3N2O |
|---|---|
| Molecular Weight | 212.00 g/mol |
| LogP | 1.87707 |
| Topological Polar Surface Area | 49.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.99643 |
| Heavy Atoms | 13 |
| Complexity | 358.19626 |
Chemical Identifiers
| CAS Number | 338397-85-6 |
|---|---|
| SMILES | C1=C(C(=N)N(C=C1C(F)(F)F)O)Cl |
Product Overview
2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate (CAS 338397-85-6), with molecular formula C6H4ClF3N2O and molecular weight 212.00 g/mol. IUPAC: 3-chloro-1-hydroxy-5-(trifluoromethyl)pyridin-2-imine.
Chemical Property Profile of 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate
Property Insights of 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate
The XLogP value of 1.87707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate. With a topological polar surface area (TPSA) of 49.01 Ų, 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate has 2 hydrogen bond donor(s) and 2 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-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate?
The CAS number of 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate is 338397-85-6.
What is the molecular formula of 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate?
The molecular formula of 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate is C6H4ClF3N2O.
What is the molecular weight of 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate?
The molecular weight of 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate is 212.00 g/mol.
Where can I buy 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate?
You can request a quote for 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-chloro-5-(trifluoromethyl)-1-pyridiniumolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.