(3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate
TL;DR: (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate (CAS 484666-00-4) is a chemical compound with molecular formula C13H9ClN2O4 and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl)methyl 2-chloropyridine-3-carboxylate
Also Known As: 3-Nitrobenzyl 2-chloronicotinate, (3-nitrophenyl)methyl 2-chloropyridine-3-carboxylate, 2-chloronicotinic acid (3-nitrobenzyl) ester, (3-nitrophenyl)methyl 2-chloranylpyridine-3-carboxylate, 2-chloro-3-pyridinecarboxylic acid (3-nitrophenyl)methyl ester
| Molecular Formula | C13H9ClN2O4 |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 3.0002 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0251 |
| Heavy Atoms | 20 |
| Complexity | 660.32434 |
Chemical Identifiers
| CAS Number | 484666-00-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)C2=C(N=CC=C2)Cl |
Product Overview
(3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate (CAS 484666-00-4), with molecular formula C13H9ClN2O4 and molecular weight 292.03 g/mol. IUPAC: (3-nitrophenyl)methyl 2-chloropyridine-3-carboxylate.
Chemical Property Profile of (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate
Property Insights of (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate
The XLogP value of 3.0002 indicates that (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate?
The CAS number of (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate is 484666-00-4.
What is the molecular formula of (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate?
The molecular formula of (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate is C13H9ClN2O4.
What is the molecular weight of (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate?
The molecular weight of (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate is 292.03 g/mol.
Where can I buy (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate?
You can request a quote for (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitrophenyl)methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.