4-(4-Chloro-3-nitrobenzyl)pyridine
TL;DR: 4-(4-Chloro-3-nitrobenzyl)pyridine (CAS 540512-04-7) is a chemical compound with molecular formula C12H9ClN2O2 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chloro-3-nitrophenyl)methyl]pyridine
Also Known As: 4-(4-chloro-3-nitrobenzyl)pyridine, 4-[(4-chloro-3-nitrophenyl)methyl]pyridine, pyridine, 4-[(4-chloro-3-nitrophenyl)methyl]-, 4-[(4-chloro-3-nitro-phenyl)methyl]pyridine
| Molecular Formula | C12H9ClN2O2 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 3.234 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.03525 |
| Heavy Atoms | 17 |
| Complexity | 543.45685 |
Chemical Identifiers
| CAS Number | 540512-04-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC2=CC=NC=C2)[N+](=O)[O-])Cl |
Product Overview
4-(4-Chloro-3-nitrobenzyl)pyridine (CAS 540512-04-7), with molecular formula C12H9ClN2O2 and molecular weight 248.04 g/mol. IUPAC: 4-[(4-chloro-3-nitrophenyl)methyl]pyridine.
Chemical Property Profile of 4-(4-Chloro-3-nitrobenzyl)pyridine
Property Insights of 4-(4-Chloro-3-nitrobenzyl)pyridine
The XLogP value of 3.234 indicates that 4-(4-Chloro-3-nitrobenzyl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, 4-(4-Chloro-3-nitrobenzyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chloro-3-nitrobenzyl)pyridine 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 4-(4-Chloro-3-nitrobenzyl)pyridine?
The CAS number of 4-(4-Chloro-3-nitrobenzyl)pyridine is 540512-04-7.
What is the molecular formula of 4-(4-Chloro-3-nitrobenzyl)pyridine?
The molecular formula of 4-(4-Chloro-3-nitrobenzyl)pyridine is C12H9ClN2O2.
What is the molecular weight of 4-(4-Chloro-3-nitrobenzyl)pyridine?
The molecular weight of 4-(4-Chloro-3-nitrobenzyl)pyridine is 248.04 g/mol.
Where can I buy 4-(4-Chloro-3-nitrobenzyl)pyridine?
You can request a quote for 4-(4-Chloro-3-nitrobenzyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chloro-3-nitrobenzyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-3-nitrobenzyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.