![4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile structure](/static/products/861/861207-55-8.webp)
4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile
TL;DR: 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile (CAS 861207-55-8) is a chemical compound with molecular formula C13H9ClN2O and molecular weight 244.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(6-chloro-3-pyridinyl)methoxy]benzonitrile
Also Known As: 4-[(6-chloropyridin-3-yl)methoxy]benzonitrile, Bionet2_001452, 4-[(6-chloro-3-pyridinyl)methoxy]benzenecarbonitrile, 4-[(6-chloro-3-pyridyl)methoxy]benzonitrile, 4-((6-Chloropyridin-3-yl)methoxy)benzonitrile
Technical Specifications
| Molecular Formula | C13H9ClN2O |
| Molecular Weight | 244.04034 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.04034 Da |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
| SMILES | C1=CC(=CC=C1C#N)OCC2=CN=C(C=C2)Cl |
| InChIKey | YPSFUWUIBXQKPR-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile
Property Insights of 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile
The XLogP value of 3.0 indicates that 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.9 Ų, 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile 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
What is the CAS number of 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile?
The CAS number of 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile is 861207-55-8.
What is the molecular formula of 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile?
The molecular formula of 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile is C13H9ClN2O.
What is the molecular weight of 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile?
The molecular weight of 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile is 244.04034 g/mol.
Where can I buy 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile?
You can request a quote for 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-[(6-Chloropyridin-3-yl)methoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.