6-Methyl-4-(trifluoromethyl)nicotinonitrile
TL;DR: 6-Methyl-4-(trifluoromethyl)nicotinonitrile (CAS 13600-49-2) 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.
6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 6-methyl-4-(trifluoromethyl)nicotinonitrile, 6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile, Methylcarbonyl-L-t-Leucine, 6-Methyl-4-trifluoromethyl-nicotinonitrile, s11026
| 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 | 13600-49-2 |
|---|---|
| SMILES | CC1=CC(=C(C=N1)C#N)C(F)(F)F |
Product Overview
6-Methyl-4-(trifluoromethyl)nicotinonitrile (CAS 13600-49-2), with molecular formula C8H5F3N2 and molecular weight 186.04 g/mol. IUPAC: 6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-Methyl-4-(trifluoromethyl)nicotinonitrile
Property Insights of 6-Methyl-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 2.2805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-4-(trifluoromethyl)nicotinonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 6-Methyl-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-4-(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 6-Methyl-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 6-Methyl-4-(trifluoromethyl)nicotinonitrile is 13600-49-2.
What is the molecular formula of 6-Methyl-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 6-Methyl-4-(trifluoromethyl)nicotinonitrile is C8H5F3N2.
What is the molecular weight of 6-Methyl-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 6-Methyl-4-(trifluoromethyl)nicotinonitrile is 186.04 g/mol.
Where can I buy 6-Methyl-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 6-Methyl-4-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.