1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide
TL;DR: 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide (CAS 26031-70-9) is a chemical compound with molecular formula C13H11BrN2O3 and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide
Also Known As: 1-(2-nitrophenyl)-2-pyridin-1-yl-ethanone Bromide, 1-(2-nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide, 1-(2-(2-nitro-phenyl)-2-oxo-ethyl)-pyridinium, bromide
| Molecular Formula | C13H11BrN2O3 |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | -1.2308 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.9953 |
| Heavy Atoms | 19 |
| Complexity | 587.452 |
Chemical Identifiers
| CAS Number | 26031-70-9 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC(=O)C2=CC=CC=C2[N+](=O)[O-].[Br-] |
Product Overview
1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide (CAS 26031-70-9), with molecular formula C13H11BrN2O3 and molecular weight 322.00 g/mol. IUPAC: 1-(2-nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide.
Chemical Property Profile of 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide
Property Insights of 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide
The XLogP value of -1.2308 indicates that 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide. Following Lipinski's Rule of Five, 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide 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
Frequently Asked Questions
What is the CAS number of 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide?
The CAS number of 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide is 26031-70-9.
What is the molecular formula of 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide?
The molecular formula of 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide is C13H11BrN2O3.
What is the molecular weight of 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide?
The molecular weight of 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide is 322.00 g/mol.
Where can I buy 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide?
You can request a quote for 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.