2-(tert-Butyl)isonicotinonitrile
TL;DR: 2-(tert-Butyl)isonicotinonitrile (CAS 33698-51-0) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylpyridine-4-carbonitrile
Also Known As: 2-tert-butylisonicotinonitrile, 2-(tert-Butyl)isonicotinonitrile, 2-tert-butylpyridine-4-carbonitrile, 2-tert-Butyl-isonicotinonitrile, 2-tert-Butyl-4-cyanopyridine
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 33698-51-0 |
|---|---|
| SMILES | CC(C)(C)C1=NC=CC(=C1)C#N |
| InChIKey | CJAKCVBSWSUUHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(tert-Butyl)isonicotinonitrile (CAS 33698-51-0), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 2-tert-butylpyridine-4-carbonitrile.
Chemical Property Profile of 2-(tert-Butyl)isonicotinonitrile
Property Insights of 2-(tert-Butyl)isonicotinonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-Butyl)isonicotinonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 2-(tert-Butyl)isonicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butyl)isonicotinonitrile 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-(tert-Butyl)isonicotinonitrile?
The CAS number of 2-(tert-Butyl)isonicotinonitrile is 33698-51-0.
What is the molecular formula of 2-(tert-Butyl)isonicotinonitrile?
The molecular formula of 2-(tert-Butyl)isonicotinonitrile is C10H12N2.
What is the molecular weight of 2-(tert-Butyl)isonicotinonitrile?
The molecular weight of 2-(tert-Butyl)isonicotinonitrile is 160.10 g/mol.
Where can I buy 2-(tert-Butyl)isonicotinonitrile?
You can request a quote for 2-(tert-Butyl)isonicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Butyl)isonicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butyl)isonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.