2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile
TL;DR: 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile (CAS 338979-38-7) is a chemical compound with molecular formula C12H12ClF3N4 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetonitrile
Also Known As: 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile, {4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}acetonitrile, 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetonitrile, 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetonitrile, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}acetonitrile
| Molecular Formula | C12H12ClF3N4 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 2.39938 |
| Topological Polar Surface Area | 43.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.07025 |
| Heavy Atoms | 20 |
| Complexity | 518.4142 |
Chemical Identifiers
| CAS Number | 338979-38-7 |
|---|---|
| SMILES | C1CN(CCN1CC#N)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile (CAS 338979-38-7), with molecular formula C12H12ClF3N4 and molecular weight 304.07 g/mol. IUPAC: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetonitrile.
Chemical Property Profile of 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile
Property Insights of 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile
The XLogP value of 2.39938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile. With a topological polar surface area (TPSA) of 43.16 Ų, 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile has 0 hydrogen bond donor(s) and 4 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-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile?
The CAS number of 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile is 338979-38-7.
What is the molecular formula of 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile?
The molecular formula of 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile is C12H12ClF3N4.
What is the molecular weight of 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile?
The molecular weight of 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile is 304.07 g/mol.
Where can I buy 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile?
You can request a quote for 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.