2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile
TL;DR: 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile (CAS 154419-42-8) is a chemical compound with molecular formula C12H7ClFN3 and molecular weight 247.03125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile
Also Known As: 2-(6-chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile, 2-(6-Chloro-3-pyridazinyl)-2-(2-fluorophenyl)acetonitrile, chloropyridazinylfluorophenylacetonitrile, 2-(6-Chloro-3-pyridazinyl)-2-(2-fluorophenyl)-acetonitrile, 1F-011
Technical Specifications
| Molecular Formula | C12H7ClFN3 |
| Molecular Weight | 247.03125 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.03125 Da |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
| SMILES | C1=CC=C(C(=C1)C(C#N)C2=NN=C(C=C2)Cl)F |
| InChIKey | VIUNVHHXBJJUMQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile
Property Insights of 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile. With a topological polar surface area (TPSA) of 49.6 Ų, 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile?
The CAS number of 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile is 154419-42-8.
What is the molecular formula of 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile?
The molecular formula of 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile is C12H7ClFN3.
What is the molecular weight of 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile?
The molecular weight of 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile is 247.03125 g/mol.
Where can I buy 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile?
You can request a quote for 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(6-Chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.