![1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile structure](/static/products/4000/400087-72-1.webp)
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile
TL;DR: 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile (CAS 400087-72-1) is a chemical compound with molecular formula C11H7ClF3N3O and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
Also Known As: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile, 8G-046, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxo-3-pyrrolidinecarbonitrile
| Molecular Formula | C11H7ClF3N3O |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 2.63028 |
| Topological Polar Surface Area | 56.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.02298 |
| Heavy Atoms | 19 |
| Complexity | 567.2843 |
Chemical Identifiers
| CAS Number | 400087-72-1 |
|---|---|
| SMILES | C1CN(C(=O)C1C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile (CAS 400087-72-1), with molecular formula C11H7ClF3N3O and molecular weight 289.02 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxopyrrolidine-3-carbonitrile.
Chemical Property Profile of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile
Property Insights of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile
The XLogP value of 2.63028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile. With a topological polar surface area (TPSA) of 56.99 Ų, 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile 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 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile?
The CAS number of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile is 400087-72-1.
What is the molecular formula of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile?
The molecular formula of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile is C11H7ClF3N3O.
What is the molecular weight of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile?
The molecular weight of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile is 289.02 g/mol.
Where can I buy 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile?
You can request a quote for 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrrolidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.