![1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium structure](/static/products/951/95196-89-7.png)
1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium
TL;DR: 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium (CAS 95196-89-7) is a chemical compound with molecular formula C12H10ClN2O2+ and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-nitrophenyl)methyl]pyridin-1-ium
Also Known As: 1-[(2-chloro-6-nitro-phenyl)methyl]pyridine, 1-[(2-chloro-6-nitrophenyl)methyl]pyridin-1-ium, 1-(2-CHLORO-6-NITROBENZYL)PYRIDINIUM BROMIDE, 1-[(2-chloro-6-nitrophenyl)methyl]pyridin-1-ium,bromide
| Molecular Formula | C12H10ClN2O2+ |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 2.584 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04308 |
| Heavy Atoms | 17 |
| Complexity | 543.45685 |
Chemical Identifiers
| CAS Number | 95196-89-7 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC2=C(C=CC=C2Cl)[N+](=O)[O-] |
Product Overview
1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium (CAS 95196-89-7), with molecular formula C12H10ClN2O2+ and molecular weight 249.04 g/mol. IUPAC: 1-[(2-chloro-6-nitrophenyl)methyl]pyridin-1-ium.
Chemical Property Profile of 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium
Property Insights of 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium
The XLogP value of 2.584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium. With a topological polar surface area (TPSA) of 47.02 Ų, 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium 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-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium?
The CAS number of 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium is 95196-89-7.
What is the molecular formula of 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium?
The molecular formula of 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium is C12H10ClN2O2+.
What is the molecular weight of 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium?
The molecular weight of 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium is 249.04 g/mol.
Where can I buy 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium?
You can request a quote for 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Chloro-6-nitrophenyl)methyl]pyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.