![2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile structure](/static/products/2139/213994-29-7.webp)
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile
TL;DR: 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile (CAS 213994-29-7) is a chemical compound with molecular formula C14H7ClF3N3O2 and molecular weight 341.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile
Also Known As: 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile, imidazolidino[1,2-a]benzimidazole, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(4-nitrophenyl)acetonitrile, 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(4-nitrophenyl)acetonitrile, 7264AD
| Molecular Formula | C14H7ClF3N3O2 |
|---|---|
| Molecular Weight | 341.02 g/mol |
| LogP | 4.31748 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.01788 |
| Heavy Atoms | 23 |
| Complexity | 785.335 |
Chemical Identifiers
| CAS Number | 213994-29-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-] |
Product Overview
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile (CAS 213994-29-7), with molecular formula C14H7ClF3N3O2 and molecular weight 341.02 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile.
Chemical Property Profile of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile
Property Insights of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile
The XLogP value of 4.31748 indicates that 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile. Following Lipinski's Rule of Five, 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)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-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile?
The CAS number of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile is 213994-29-7.
What is the molecular formula of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile?
The molecular formula of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile is C14H7ClF3N3O2.
What is the molecular weight of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile?
The molecular weight of 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile is 341.02 g/mol.
Where can I buy 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile?
You can request a quote for 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-nitrophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.