6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
TL;DR: 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 478049-71-7) is a chemical compound with molecular formula C12H14F3N3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 5N-384S, 6-tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(tert-butyl)-2-(methylamino)-4-(trifluoromethyl)nicotinonitrile, 2-methylamino-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C12H14F3N3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 3.31128 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.11398 |
| Heavy Atoms | 18 |
| Complexity | 493.00494 |
Chemical Identifiers
| CAS Number | 478049-71-7 |
|---|---|
| SMILES | CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)NC |
Product Overview
6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 478049-71-7), with molecular formula C12H14F3N3 and molecular weight 257.11 g/mol. IUPAC: 6-tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
Property Insights of 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile
The XLogP value of 3.31128 indicates that 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile has 1 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 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The CAS number of 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is 478049-71-7.
What is the molecular formula of 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular formula of 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is C12H14F3N3.
What is the molecular weight of 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular weight of 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile is 257.11 g/mol.
Where can I buy 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
You can request a quote for 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Tert-butyl-2-(methylamino)-4-(trifluoromethyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.