alpha-(2-Methylpropylidene)pyridine-2-acetonitrile
TL;DR: alpha-(2-Methylpropylidene)pyridine-2-acetonitrile (CAS 22346-07-2) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-pyridin-2-ylpent-2-enenitrile
Also Known As: 4-methyl-2-pyridin-2-ylpent-2-enenitrile, alpha-(2-Methylpropylidene)pyridine-2-acetonitrile, 4-methyl 2-(2-pyridyl) 2-pentene nitrile, 4-methyl-2-(pyridin-2-yl)pent-2-enenitrile, 2-Pyridineacetonitrile,a-(2-methylpropylidene)-
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 22346-07-2 |
|---|---|
| SMILES | CC(C)C=C(C#N)C1=CC=CC=N1 |
| InChIKey | CACVYMFWMKRDPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(2-Methylpropylidene)pyridine-2-acetonitrile (CAS 22346-07-2), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 4-methyl-2-pyridin-2-ylpent-2-enenitrile.
Chemical Property Profile of alpha-(2-Methylpropylidene)pyridine-2-acetonitrile
Property Insights of alpha-(2-Methylpropylidene)pyridine-2-acetonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(2-Methylpropylidene)pyridine-2-acetonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, alpha-(2-Methylpropylidene)pyridine-2-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(2-Methylpropylidene)pyridine-2-acetonitrile 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 alpha-(2-Methylpropylidene)pyridine-2-acetonitrile?
The CAS number of alpha-(2-Methylpropylidene)pyridine-2-acetonitrile is 22346-07-2.
What is the molecular formula of alpha-(2-Methylpropylidene)pyridine-2-acetonitrile?
The molecular formula of alpha-(2-Methylpropylidene)pyridine-2-acetonitrile is C11H12N2.
What is the molecular weight of alpha-(2-Methylpropylidene)pyridine-2-acetonitrile?
The molecular weight of alpha-(2-Methylpropylidene)pyridine-2-acetonitrile is 172.10 g/mol.
Where can I buy alpha-(2-Methylpropylidene)pyridine-2-acetonitrile?
You can request a quote for alpha-(2-Methylpropylidene)pyridine-2-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(2-Methylpropylidene)pyridine-2-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-(2-Methylpropylidene)pyridine-2-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.