1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one
TL;DR: 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one (CAS 682759-19-9) is a chemical compound with molecular formula C12H8ClFN2O3 and molecular weight 282.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-4-fluorophenyl)methyl]-3-nitropyridin-2-one
Also Known As: 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one, 1-[(2-chloro-4-fluorophenyl)methyl]-3-nitropyridin-2-one, 1-(2-chloro-4-fluoro-benzyl)-3-nitro-2-pyridone, 1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-2-pyridinone, A2985/0125748
| Molecular Formula | C12H8ClFN2O3 |
|---|---|
| Molecular Weight | 282.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.02075 |
| Heavy Atoms | 19 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 682759-19-9 |
|---|---|
| SMILES | C1=CN(C(=O)C(=C1)[N+](=O)[O-])CC2=C(C=C(C=C2)F)Cl |
| InChIKey | ORUKHAFXEIXKJU-UHFFFAOYSA-N |
Product Overview
1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one (CAS 682759-19-9), with molecular formula C12H8ClFN2O3 and molecular weight 282.02 g/mol. IUPAC: 1-[(2-chloro-4-fluorophenyl)methyl]-3-nitropyridin-2-one.
Chemical Property Profile of 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one
Property Insights of 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one. Following Lipinski's Rule of Five, 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one has 0 hydrogen bond donor(s) and 4 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-4-fluorobenzyl)-3-nitropyridin-2(1H)-one?
The CAS number of 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one is 682759-19-9.
What is the molecular formula of 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one?
The molecular formula of 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one is C12H8ClFN2O3.
What is the molecular weight of 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one?
The molecular weight of 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one is 282.02 g/mol.
Where can I buy 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one?
You can request a quote for 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one 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-4-fluorobenzyl)-3-nitropyridin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chloro-4-fluorobenzyl)-3-nitropyridin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.