2-Methyl-6-(trifluoromethyl)nicotinonitrile
TL;DR: 2-Methyl-6-(trifluoromethyl)nicotinonitrile (CAS 402479-93-0) is a chemical compound with molecular formula C8H5F3N2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-Methyl-6-(trifluoromethyl)nicotinonitrile, Maybridge1_000359, 2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile, 2-Methyl-6-(trifluoromethyl)-3-cyano-pyridine, 2-methyl-6-(triluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C8H5F3N2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 2.2805 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.04048 |
| Heavy Atoms | 13 |
| Complexity | 362.6324 |
Chemical Identifiers
| CAS Number | 402479-93-0 |
|---|---|
| SMILES | CC1=C(C=CC(=N1)C(F)(F)F)C#N |
Product Overview
2-Methyl-6-(trifluoromethyl)nicotinonitrile (CAS 402479-93-0), with molecular formula C8H5F3N2 and molecular weight 186.04 g/mol. IUPAC: 2-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-Methyl-6-(trifluoromethyl)nicotinonitrile
Property Insights of 2-Methyl-6-(trifluoromethyl)nicotinonitrile
The XLogP value of 2.2805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-6-(trifluoromethyl)nicotinonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 2-Methyl-6-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-6-(trifluoromethyl)nicotinonitrile has 0 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-Methyl-6-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-Methyl-6-(trifluoromethyl)nicotinonitrile is 402479-93-0.
What is the molecular formula of 2-Methyl-6-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-Methyl-6-(trifluoromethyl)nicotinonitrile is C8H5F3N2.
What is the molecular weight of 2-Methyl-6-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-Methyl-6-(trifluoromethyl)nicotinonitrile is 186.04 g/mol.
Where can I buy 2-Methyl-6-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-Methyl-6-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.