2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
TL;DR: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride (CAS 154934-99-3) is a chemical compound with molecular formula C6HCl2F3N2O and molecular weight 243.9418 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
Also Known As: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride, C6HCl2F3N2O, 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchloride, K-4896, 2-CHLORO-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBONYL
Technical Specifications
| Molecular Formula | C6HCl2F3N2O |
| Molecular Weight | 243.9418 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.9418 Da |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
| SMILES | C1=C(C(=NC(=N1)Cl)C(F)(F)F)C(=O)Cl |
| InChIKey | BTRSILVUNQWNDR-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
Property Insights of 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride. With a topological polar surface area (TPSA) of 42.9 Ų, 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride has 0 hydrogen bond donor(s) and 6 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-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride?
The CAS number of 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride is 154934-99-3.
What is the molecular formula of 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride?
The molecular formula of 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride is C6HCl2F3N2O.
What is the molecular weight of 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride?
The molecular weight of 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride is 243.9418 g/mol.
Where can I buy 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride?
You can request a quote for 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.