![2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile structure](/static/products/122/122520-94-9.webp)
2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile
TL;DR: 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile (CAS 122520-94-9) is a chemical compound with molecular formula C9H5N3O and molecular weight 171.04326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1-oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile
Also Known As: 4-(2,2-Dicyanoethenyl)pyridine-1-oxide, benzylidenemalononitrile (BMN) deriv. 57, 4-(2,2-dicyanoeth-1-en-1-yl)pyridin-1-ium-1-olate, Propanedinitrile, 2-[(1-oxido-4-pyridinyl)methylene]-, 2-[(1-oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile
Technical Specifications
| Molecular Formula | C9H5N3O |
| Molecular Weight | 171.04326 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.04326 Da |
| Heavy Atoms | 13 |
| Complexity | 277.0 |
| SMILES | C1=C[N+](=CC=C1C=C(C#N)C#N)[O-] |
| InChIKey | SRNWYLUMADRBIH-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile
Property Insights of 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile
The XLogP value of -0.1 indicates that 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile?
The CAS number of 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile is 122520-94-9.
What is the molecular formula of 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile?
The molecular formula of 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile is C9H5N3O.
What is the molecular weight of 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile?
The molecular weight of 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile is 171.04326 g/mol.
Where can I buy 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile?
You can request a quote for 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(1-Oxidopyridin-1-ium-4-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.