3-Pyridineacetonitrile
TL;DR: 3-Pyridineacetonitrile (CAS 6443-85-2) is a chemical compound with molecular formula C7H6N2 and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-3-ylacetonitrile
Also Known As: 3-Pyridylacetonitrile, 3-Pyridineacetonitrile, 2-(pyridin-3-yl)acetonitrile, Pyridine-3-acetonitrile, 3-Cyanomethylpyridine
| Molecular Formula | C7H6N2 |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.0531 |
| Heavy Atoms | 9 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 6443-85-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)CC#N |
| InChIKey | OIPHWUPMXHQWLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridineacetonitrile (CAS 6443-85-2), with molecular formula C7H6N2 and molecular weight 118.05 g/mol. IUPAC: 2-pyridin-3-ylacetonitrile.
Chemical Property Profile of 3-Pyridineacetonitrile
Property Insights of 3-Pyridineacetonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridineacetonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 3-Pyridineacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridineacetonitrile 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 3-Pyridineacetonitrile?
The CAS number of 3-Pyridineacetonitrile is 6443-85-2.
What is the molecular formula of 3-Pyridineacetonitrile?
The molecular formula of 3-Pyridineacetonitrile is C7H6N2.
What is the molecular weight of 3-Pyridineacetonitrile?
The molecular weight of 3-Pyridineacetonitrile is 118.05 g/mol.
Where can I buy 3-Pyridineacetonitrile?
You can request a quote for 3-Pyridineacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridineacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridineacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.