3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
TL;DR: 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one (CAS 76893-85-1) is a chemical compound with molecular formula C6H3ClF3NO and molecular weight 196.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
Also Known As: 3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine, 3-chloro-5-(trifluoromethyl)pyridin-2-ol, DE-535 pyridinol, Haloxyfop-P metabolite, 3-Chloro-5-(trifluoromethyl)-2-pyridinol
| Molecular Formula | C6H3ClF3NO |
|---|---|
| Molecular Weight | 196.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.98552 |
| Heavy Atoms | 12 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 76893-85-1 |
|---|---|
| SMILES | C1=C(C(=O)NC=C1C(F)(F)F)Cl |
| InChIKey | AJPOOWWMZOPUCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one (CAS 76893-85-1), with molecular formula C6H3ClF3NO and molecular weight 196.99 g/mol. IUPAC: 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one.
Chemical Property Profile of 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
Property Insights of 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one?
The CAS number of 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one is 76893-85-1.
What is the molecular formula of 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one?
The molecular formula of 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one is C6H3ClF3NO.
What is the molecular weight of 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one?
The molecular weight of 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one is 196.99 g/mol.
Where can I buy 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one?
You can request a quote for 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.