![4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile structure](/static/products/3831/383147-78-2.webp)
4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile
TL;DR: 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile (CAS 383147-78-2) is a chemical compound with molecular formula C8H5ClF2N2O and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[chloro(difluoro)methyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 4-[chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile, 4-(chlorodifluoromethyl)-2-hydroxy-6-methylpyridine-3-carbonitrile, 1T-0038, 4-[chloro(difluoro)methyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile, 4-Chloro(difluoro)methyl-2-hydroxy-6-methylnicotinonitrile
| Molecular Formula | C8H5ClF2N2O |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 1.8431 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.00584 |
| Heavy Atoms | 14 |
| Complexity | 455.8798 |
Chemical Identifiers
| CAS Number | 383147-78-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)C#N)C(F)(F)Cl |
Product Overview
4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile (CAS 383147-78-2), with molecular formula C8H5ClF2N2O and molecular weight 218.01 g/mol. IUPAC: 4-[chloro(difluoro)methyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile
Property Insights of 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile
The XLogP value of 1.8431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile 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-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile?
The CAS number of 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile is 383147-78-2.
What is the molecular formula of 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile?
The molecular formula of 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile is C8H5ClF2N2O.
What is the molecular weight of 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile?
The molecular weight of 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile is 218.01 g/mol.
Where can I buy 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile?
You can request a quote for 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[Chloro(difluoro)methyl]-2-hydroxy-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.