4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile
TL;DR: 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile (CAS 869947-05-7) is a chemical compound with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile, AB01328429-02, 4-cyclopropyl-2-hydroxy-6-(trifluoromethyl)pyridine-3-carbonitrile, 4-Cyclopropyl-2-hydroxy-6-trifluoromethyl-nicotinonitrile
| Molecular Formula | C10H7F3N2O |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 2.14278 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.05104 |
| Heavy Atoms | 16 |
| Complexity | 520.3364 |
Chemical Identifiers
| CAS Number | 869947-05-7 |
|---|---|
| SMILES | C1CC1C2=C(C(=O)NC(=C2)C(F)(F)F)C#N |
Product Overview
4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile (CAS 869947-05-7), with molecular formula C10H7F3N2O and molecular weight 228.05 g/mol. IUPAC: 4-cyclopropyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile
Property Insights of 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile
The XLogP value of 2.14278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile has 1 hydrogen bond donor(s) and 2 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 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile?
The CAS number of 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile is 869947-05-7.
What is the molecular formula of 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile?
The molecular formula of 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile is C10H7F3N2O.
What is the molecular weight of 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile?
The molecular weight of 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile is 228.05 g/mol.
Where can I buy 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile?
You can request a quote for 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclopropyl-2-hydroxy-6-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.