3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate
TL;DR: 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate (CAS 1049729-56-7) is a chemical compound with molecular formula C7H7F3N2O4 and molecular weight 240.0358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile;dihydrate
Also Known As: 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate, 5862AJ, K-0448, 2,6-dihydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile dihydrate, 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile;dihydrate
Technical Specifications
| Molecular Formula | C7H7F3N2O4 |
| Molecular Weight | 240.0358 g/mol |
| XLogP | -0.67842 |
| Topological Polar Surface Area (TPSA) | 75.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.0358 Da |
| Heavy Atoms | 16 |
| Complexity | 397.0 |
| SMILES | C1=C(C(=C(NC1=O)O)C#N)C(F)(F)F.O.O |
| InChIKey | QRYPSVHSUBAFFY-UHFFFAOYSA-N |
Chemical Property Profile of 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate
Property Insights of 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate
The XLogP value of -0.67842 indicates that 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate. Following Lipinski's Rule of Five, 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate has 4 hydrogen bond donor(s) and 8 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-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate?
The CAS number of 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate is 1049729-56-7.
What is the molecular formula of 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate?
The molecular formula of 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate is C7H7F3N2O4.
What is the molecular weight of 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate?
The molecular weight of 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate is 240.0358 g/mol.
Where can I buy 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate?
You can request a quote for 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate?
Yes, CoreyChem provides custom synthesis services for 3-Cyano-2,6-dihydroxy-4-(trifluoromethyl)pyridine dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.