2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile
TL;DR: 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile (CAS 46133-38-4) is a chemical compound with molecular formula C9H7N3 and molecular weight 157.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(cyanomethyl)-2-pyridinyl]acetonitrile
Also Known As: 2,6-Pyridinediacetonitrile, 2-[6-(cyanomethyl)pyridin-2-yl]acetonitrile, 2,6-bis(cyanomethyl)pyridine, 2,2'-(Pyridine-2,6-diyl)diacetonitrile, 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile
| Molecular Formula | C9H7N3 |
|---|---|
| Molecular Weight | 157.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.064 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 46133-38-4 |
|---|---|
| SMILES | C1=CC(=NC(=C1)CC#N)CC#N |
| InChIKey | ZSLMXJLUZXSZAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile (CAS 46133-38-4), with molecular formula C9H7N3 and molecular weight 157.06 g/mol. IUPAC: 2-[6-(cyanomethyl)-2-pyridinyl]acetonitrile.
Chemical Property Profile of 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile
Property Insights of 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile 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
Frequently Asked Questions
What is the CAS number of 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile?
The CAS number of 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile is 46133-38-4.
What is the molecular formula of 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile?
The molecular formula of 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile is C9H7N3.
What is the molecular weight of 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile?
The molecular weight of 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile is 157.06 g/mol.
Where can I buy 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile?
You can request a quote for 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-(Cyanomethyl)pyridin-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.