3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine
TL;DR: 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine (CAS 339099-82-0) is a chemical compound with molecular formula C9H6ClF3N4 and molecular weight 262.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine
Also Known As: 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine, 3-chloro-2-(1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine, 8J-033, 3-chloro-2-[(1H-1,2,4-triazol-1-yl)methyl]-5-(trifluoromethyl)pyridine
| Molecular Formula | C9H6ClF3N4 |
|---|---|
| Molecular Weight | 262.02 g/mol |
| LogP | 2.3936 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.02332 |
| Heavy Atoms | 17 |
| Complexity | 509.45468 |
Chemical Identifiers
| CAS Number | 339099-82-0 |
|---|---|
| SMILES | C1=C(C=NC(=C1Cl)CN2C=NC=N2)C(F)(F)F |
Product Overview
3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine (CAS 339099-82-0), with molecular formula C9H6ClF3N4 and molecular weight 262.02 g/mol. IUPAC: 3-chloro-2-(1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine
Property Insights of 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine
The XLogP value of 2.3936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine. With a topological polar surface area (TPSA) of 43.6 Ų, 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine 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
Frequently Asked Questions
What is the CAS number of 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine?
The CAS number of 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine is 339099-82-0.
What is the molecular formula of 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine?
The molecular formula of 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine is C9H6ClF3N4.
What is the molecular weight of 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine?
The molecular weight of 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine is 262.02 g/mol.
Where can I buy 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine?
You can request a quote for 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-2-(1H-1,2,4-triazol-1-ylmethyl)-5-(trifluoromethyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.