5-Nitro-2-phenoxynicotinonitrile
TL;DR: 5-Nitro-2-phenoxynicotinonitrile (CAS 208454-27-7) is a chemical compound with molecular formula C12H7N3O3 and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-phenoxypyridine-3-carbonitrile
Also Known As: 5-nitro-2-phenoxynicotinonitrile, 5-nitro-2-phenoxypyridine-3-carbonitrile, 2-Phenoxy-5-nitropyridine-3-carbonitrile, AH-262/37093048
| Molecular Formula | C12H7N3O3 |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 2.65378 |
| Topological Polar Surface Area | 89.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.04874 |
| Heavy Atoms | 18 |
| Complexity | 620.2099 |
Chemical Identifiers
| CAS Number | 208454-27-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C=N2)[N+](=O)[O-])C#N |
Product Overview
5-Nitro-2-phenoxynicotinonitrile (CAS 208454-27-7), with molecular formula C12H7N3O3 and molecular weight 241.05 g/mol. IUPAC: 5-nitro-2-phenoxypyridine-3-carbonitrile.
Chemical Property Profile of 5-Nitro-2-phenoxynicotinonitrile
Property Insights of 5-Nitro-2-phenoxynicotinonitrile
The XLogP value of 2.65378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-phenoxynicotinonitrile. The TPSA of 89.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-phenoxynicotinonitrile. Following Lipinski's Rule of Five, 5-Nitro-2-phenoxynicotinonitrile 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 5-Nitro-2-phenoxynicotinonitrile?
The CAS number of 5-Nitro-2-phenoxynicotinonitrile is 208454-27-7.
What is the molecular formula of 5-Nitro-2-phenoxynicotinonitrile?
The molecular formula of 5-Nitro-2-phenoxynicotinonitrile is C12H7N3O3.
What is the molecular weight of 5-Nitro-2-phenoxynicotinonitrile?
The molecular weight of 5-Nitro-2-phenoxynicotinonitrile is 241.05 g/mol.
Where can I buy 5-Nitro-2-phenoxynicotinonitrile?
You can request a quote for 5-Nitro-2-phenoxynicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-phenoxynicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-phenoxynicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.