3,4,5-Trichloropyridine-2-carbonitrile
TL;DR: 3,4,5-Trichloropyridine-2-carbonitrile (CAS 139485-42-0) is a chemical compound with molecular formula C6HCl3N2 and molecular weight 205.92053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5-trichloropyridine-2-carbonitrile
Also Known As: 3,4,5-Trichloropicolinonitrile, 3,4,5-trichloropyridine-2-carbonitrile, trichloro-2-cyanopyridine, 2-Pyridinecarbonitrile, 3,4,5-trichloro-, C6HCl3N2
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6HCl3N2 |
| Molecular Weight | 205.92053 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.92053 Da |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
| SMILES | C1=C(C(=C(C(=N1)C#N)Cl)Cl)Cl |
| InChIKey | UBUTVAIAQCVVBX-UHFFFAOYSA-N |
Chemical Property Profile of 3,4,5-Trichloropyridine-2-carbonitrile
Property Insights of 3,4,5-Trichloropyridine-2-carbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trichloropyridine-2-carbonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 3,4,5-Trichloropyridine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trichloropyridine-2-carbonitrile 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
What is the CAS number of 3,4,5-Trichloropyridine-2-carbonitrile?
The CAS number of 3,4,5-Trichloropyridine-2-carbonitrile is 139485-42-0.
What is the molecular formula of 3,4,5-Trichloropyridine-2-carbonitrile?
The molecular formula of 3,4,5-Trichloropyridine-2-carbonitrile is C6HCl3N2.
What is the molecular weight of 3,4,5-Trichloropyridine-2-carbonitrile?
The molecular weight of 3,4,5-Trichloropyridine-2-carbonitrile is 205.92053 g/mol.
Where can I buy 3,4,5-Trichloropyridine-2-carbonitrile?
You can request a quote for 3,4,5-Trichloropyridine-2-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,5-Trichloropyridine-2-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3,4,5-Trichloropyridine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.