2-Hydroxy-4,5,6-trimethylnicotinonitrile
TL;DR: 2-Hydroxy-4,5,6-trimethylnicotinonitrile (CAS 91591-59-2) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 2-hydroxy-4,5,6-trimethylnicotinonitrile, 4,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile, 2-Pyrimidin-5-yl-benzaldehyde, 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 91591-59-2 |
|---|---|
| SMILES | CC1=C(NC(=O)C(=C1C)C#N)C |
| InChIKey | ATHBJRFQFOFPLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-4,5,6-trimethylnicotinonitrile (CAS 91591-59-2), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Hydroxy-4,5,6-trimethylnicotinonitrile
Property Insights of 2-Hydroxy-4,5,6-trimethylnicotinonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4,5,6-trimethylnicotinonitrile. With a topological polar surface area (TPSA) of 52.9 Ų, 2-Hydroxy-4,5,6-trimethylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-4,5,6-trimethylnicotinonitrile 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 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The CAS number of 2-Hydroxy-4,5,6-trimethylnicotinonitrile is 91591-59-2.
What is the molecular formula of 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The molecular formula of 2-Hydroxy-4,5,6-trimethylnicotinonitrile is C9H10N2O.
What is the molecular weight of 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
The molecular weight of 2-Hydroxy-4,5,6-trimethylnicotinonitrile is 162.08 g/mol.
Where can I buy 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
You can request a quote for 2-Hydroxy-4,5,6-trimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-4,5,6-trimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4,5,6-trimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.