4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile
TL;DR: 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile (CAS 869945-81-3) is a chemical compound with molecular formula C8H4F4N2O and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 4,6-BIS(DIFLUOROMETHYL)-2-HYDROXYNICOTINONITRILE, 4,6-bis(difluoromethyl)-2-hydroxypyridine-3-carbonitrile, 4,6-bis(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile, 4,6-Bis-difluoromethyl-2-hydroxy-nicotinonitrile, 4,6-bis(difluoromethyl)-2-hydroxy-pyridine-3-carbonitrile
| Molecular Formula | C8H4F4N2O |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 2.12178 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.02597 |
| Heavy Atoms | 15 |
| Complexity | 460.68997 |
Chemical Identifiers
| CAS Number | 869945-81-3 |
|---|---|
| SMILES | C1=C(NC(=O)C(=C1C(F)F)C#N)C(F)F |
Product Overview
4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile (CAS 869945-81-3), with molecular formula C8H4F4N2O and molecular weight 220.03 g/mol. IUPAC: 4,6-bis(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile
Property Insights of 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile
The XLogP value of 2.12178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile 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 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile?
The CAS number of 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile is 869945-81-3.
What is the molecular formula of 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile?
The molecular formula of 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile is C8H4F4N2O.
What is the molecular weight of 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile?
The molecular weight of 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile is 220.03 g/mol.
Where can I buy 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile?
You can request a quote for 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(difluoromethyl)-2-hydroxynicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.