4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile
TL;DR: 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile (CAS 223270-46-0) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-propan-2-ylpyridine-3-carbonitrile
Also Known As: 4,6-dimethyl-2-propan-2-yl-pyridine-3-carbonitrile, 4,6-dimethyl-2-propan-2-ylpyridine-3-carbonitrile, 4,6-dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile, 3-Pyridinecarbonitrile, 4,6-dimethyl-2-(1-methylethyl)- (9CI), InChI=1/C11H14N2/c1-7(2)11-10(6-12)8(3)5-9(4)13-11/h5,7H,1-4H
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 2.69352 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 359.0884 |
Chemical Identifiers
| CAS Number | 223270-46-0 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)C(C)C)C |
Product Overview
4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile (CAS 223270-46-0), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 4,6-dimethyl-2-propan-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile
Property Insights of 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile
The XLogP value of 2.69352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile 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 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile?
The CAS number of 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile is 223270-46-0.
What is the molecular formula of 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile?
The molecular formula of 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile is C11H14N2.
What is the molecular weight of 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile?
The molecular weight of 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile is 174.12 g/mol.
Where can I buy 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile?
You can request a quote for 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-(1-methylethyl)-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.