![[2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide structure](/static/products/1330/1330530-05-6.webp)
[2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide
TL;DR: [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide (CAS 1330530-05-6) is a chemical compound with molecular formula C8H4BrN3 and molecular weight 220.95886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(3-bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide
Also Known As: 3-bromo-1-(dicyanomethylide)pyridinium, (3-bromopyridyl)methane-1,1-dicarbonitrile, (3-Bromopyridin-1-ium-1-yl)dicyanomethanide, [2-(3-bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide
Technical Specifications
| Molecular Formula | C8H4BrN3 |
| Molecular Weight | 220.95886 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.95886 Da |
| Heavy Atoms | 12 |
| Complexity | 243.0 |
| SMILES | C1=CC(=C[N+](=C1)C(=C=[N-])C#N)Br |
| InChIKey | PKQXNZLPIDREAC-UHFFFAOYSA-N |
Chemical Property Profile of [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide
Property Insights of [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide. With a topological polar surface area (TPSA) of 28.7 Ų, [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide 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
What is the CAS number of [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide?
The CAS number of [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide is 1330530-05-6.
What is the molecular formula of [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide?
The molecular formula of [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide is C8H4BrN3.
What is the molecular weight of [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide?
The molecular weight of [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide is 220.95886 g/mol.
Where can I buy [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide?
You can request a quote for [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide?
Yes, CoreyChem provides custom synthesis services for [2-(3-Bromopyridin-1-ium-1-yl)-2-cyanoethenylidene]azanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.