4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-
TL;DR: 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)- (CAS 35597-82-1) is a chemical compound with molecular formula C7H3Cl3N2O2S and molecular weight 283.89807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,5-trichloro-6-methylsulfonylpyridine-4-carbonitrile
Also Known As: Isopropyl ethylcarbamate, 2,3,5-Trichloro-6-(methylsulfonyl)isonicotinonitrile, NCI60_000972, 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-, 2,3,5-trichloro-6-methylsulfonylpyridine-4-carbonitrile
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3Cl3N2O2S |
| Molecular Weight | 283.89807 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 79.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.89807 Da |
| Heavy Atoms | 15 |
| Complexity | 385.0 |
| SMILES | CS(=O)(=O)C1=NC(=C(C(=C1Cl)C#N)Cl)Cl |
| InChIKey | NWTXKBMAZQDKMI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-
Property Insights of 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-. Following Lipinski's Rule of Five, 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)- 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 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-?
The CAS number of 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)- is 35597-82-1.
What is the molecular formula of 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-?
The molecular formula of 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)- is C7H3Cl3N2O2S.
What is the molecular weight of 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-?
The molecular weight of 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)- is 283.89807 g/mol.
Where can I buy 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-?
You can request a quote for 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-?
Yes, CoreyChem provides custom synthesis services for 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.