Nicotinonitrile 1-oxide
TL;DR: Nicotinonitrile 1-oxide (CAS 14906-64-0) is a chemical compound with molecular formula C6H4N2O and molecular weight 120.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxidopyridin-1-ium-3-carbonitrile
Also Known As: 3-Cyanopyridine N-oxide, NICOTINONITRILE-1-OXIDE, Nicotinonitrile 1-oxide, 3-Cyanopyridine-N-oxide, 3-Cyanopyridine 1-oxide
| Molecular Formula | C6H4N2O |
|---|---|
| Molecular Weight | 120.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.032364 |
| Heavy Atoms | 9 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 14906-64-0 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])C#N |
| InChIKey | WOOVSQCALYYUDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinonitrile 1-oxide (CAS 14906-64-0), with molecular formula C6H4N2O and molecular weight 120.03 g/mol. IUPAC: 1-oxidopyridin-1-ium-3-carbonitrile.
Chemical Property Profile of Nicotinonitrile 1-oxide
Property Insights of Nicotinonitrile 1-oxide
The XLogP value of -0.5 indicates that Nicotinonitrile 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, Nicotinonitrile 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinonitrile 1-oxide has 0 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 Nicotinonitrile 1-oxide?
The CAS number of Nicotinonitrile 1-oxide is 14906-64-0.
What is the molecular formula of Nicotinonitrile 1-oxide?
The molecular formula of Nicotinonitrile 1-oxide is C6H4N2O.
What is the molecular weight of Nicotinonitrile 1-oxide?
The molecular weight of Nicotinonitrile 1-oxide is 120.03 g/mol.
Where can I buy Nicotinonitrile 1-oxide?
You can request a quote for Nicotinonitrile 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinonitrile 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Nicotinonitrile 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.