2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile
TL;DR: 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile (CAS 146073-68-9) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-4-methylpyridine-3,5-dicarbonitrile
Also Known As: 2-tert-butyl-4-methyl-3,5-pyridinedicarbonitrile, 2-tert-butyl-4-methylpyridine-3,5-dicarbonitrile, 2-(tert-butyl)-4-methylpyridine-3,5-dicarbonitrile, AQ-917/42754639
Technical Specifications
| Molecular Formula | C12H13N3 |
| Molecular Weight | 199.11095 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.11095 Da |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
| SMILES | CC1=C(C(=NC=C1C#N)C(C)(C)C)C#N |
| InChIKey | WWWKTWVQHJYRJN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile
Property Insights of 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile. Following Lipinski's Rule of Five, 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile?
The CAS number of 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile is 146073-68-9.
What is the molecular formula of 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile?
The molecular formula of 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile is C12H13N3.
What is the molecular weight of 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile?
The molecular weight of 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile is 199.11095 g/mol.
Where can I buy 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile?
You can request a quote for 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Tert-butyl-4-methyl-3,5-pyridinedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.