4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile
TL;DR: 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile (CAS 1024558-97-1) is a chemical compound with molecular formula C9H4ClFN4 and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloro-6-fluorophenyl)-2H-triazole-4-carbonitrile
Also Known As: 4-(2-chloro-6-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile, 4-(6-CHLORO-2-FLUOROPHENYL)-1H-1,2,3-TRIAZOLE-5-CARBONITRILE, 5-(2-Chloro-6-fluorophenyl)-2H-1,2,3-triazole-4-carbonitrile, 5-(2-chloro-6-fluorophenyl)-2H-triazole-4-carbonitrile, 5-(2-chloro-6-fluoro-phenyl)-2H-triazole-4-carbonitrile
| Molecular Formula | C9H4ClFN4 |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 2.13588 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.01085 |
| Heavy Atoms | 15 |
| Complexity | 523.03564 |
Chemical Identifiers
| CAS Number | 1024558-97-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C2=NNN=C2C#N)F |
Product Overview
4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile (CAS 1024558-97-1), with molecular formula C9H4ClFN4 and molecular weight 222.01 g/mol. IUPAC: 5-(2-chloro-6-fluorophenyl)-2H-triazole-4-carbonitrile.
Chemical Property Profile of 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile
Property Insights of 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile
The XLogP value of 2.13588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile. Following Lipinski's Rule of Five, 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile has 1 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 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile?
The CAS number of 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile is 1024558-97-1.
What is the molecular formula of 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile?
The molecular formula of 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile is C9H4ClFN4.
What is the molecular weight of 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile?
The molecular weight of 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile is 222.01 g/mol.
Where can I buy 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile?
You can request a quote for 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.