![1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide structure](/static/products/1366/13664-80-7.webp)
1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide
TL;DR: 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide (CAS 13664-80-7) is a chemical compound with molecular formula C12H11BrN2O2 and molecular weight 294.0004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-nitrophenyl)methyl]pyridin-1-ium bromide
Also Known As: 1-[(2-nitrophenyl)methyl]pyridin-1-ium bromide, 1-(2-Nitro-benzyl)-pyridinium, 1-(2-Nitrobenzyl)pyridin-1-ium bromide, 1-(2-Nitrobenzyl)pyridinium bromide, 1-(2-nitro-benzyl)-pyridinium; bromide
Technical Specifications
| Molecular Formula | C12H11BrN2O2 |
| Molecular Weight | 294.0004 g/mol |
| XLogP | -1.0654 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.0004 Da |
| Heavy Atoms | 17 |
| Complexity | 234.0 |
| SMILES | C1=CC=[N+](C=C1)CC2=CC=CC=C2[N+](=O)[O-].[Br-] |
| InChIKey | ZMLDAALKMSOLMR-UHFFFAOYSA-M |
Chemical Property Profile of 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide
Property Insights of 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide
The XLogP value of -1.0654 indicates that 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.7 Ų, 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Nitrophenyl)methyl]pyridin-1-ium 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
What is the CAS number of 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide?
The CAS number of 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide is 13664-80-7.
What is the molecular formula of 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide?
The molecular formula of 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide is C12H11BrN2O2.
What is the molecular weight of 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide?
The molecular weight of 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide is 294.0004 g/mol.
Where can I buy 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide?
You can request a quote for 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide?
Yes, CoreyChem provides custom synthesis services for 1-[(2-Nitrophenyl)methyl]pyridin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.