![2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile structure](/static/products/7605/76053-36-6.webp)
2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile (CAS 76053-36-6) is a chemical compound with molecular formula C13H7F3N2O and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
Also Known As: 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile, 6J-508S, 3-Cyano-5-[(trifluoromethyl)phenyl]-2(1H)-pyridone, 9347AE, 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
| Molecular Formula | C13H7F3N2O |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 2.93238 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.05106 |
| Heavy Atoms | 19 |
| Complexity | 710.8039 |
Chemical Identifiers
| CAS Number | 76053-36-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CNC(=O)C(=C2)C#N |
Product Overview
2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile (CAS 76053-36-6), with molecular formula C13H7F3N2O and molecular weight 264.05 g/mol. IUPAC: 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 2.93238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile has 1 hydrogen bond donor(s) and 2 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-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile is 76053-36-6.
What is the molecular formula of 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile is C13H7F3N2O.
What is the molecular weight of 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile is 264.05 g/mol.
Where can I buy 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.