1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide
TL;DR: 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide (CAS 5959-86-4) is a chemical compound with molecular formula C11H17IN2 and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine iodide
Also Known As: N-Methylnicotinium iodide, Nicotine monomethiodide, Nicotine, methiodide, (S)-1'-Methylnicotinium Iodide, Iodure de monomethylnicotinium
| Molecular Formula | C11H17IN2 |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.04364 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 5959-86-4 |
|---|---|
| SMILES | C[N+]1(CCCC1C2=CN=CC=C2)C.[I-] |
| InChIKey | RJQKOMLKVQFVMB-UHFFFAOYSA-M |
Product Overview
1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide (CAS 5959-86-4), with molecular formula C11H17IN2 and molecular weight 304.04 g/mol. IUPAC: 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)pyridine iodide.
Chemical Property Profile of 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide
Property Insights of 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide
The XLogP value of -1.0 indicates that 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 12.9 Ų, 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide 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 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide?
The CAS number of 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide is 5959-86-4.
What is the molecular formula of 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide?
The molecular formula of 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide is C11H17IN2.
What is the molecular weight of 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide?
The molecular weight of 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide is 304.04 g/mol.
Where can I buy 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide?
You can request a quote for 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-2-(pyridin-3-yl)pyrrolidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.