2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide
TL;DR: 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide (CAS 658-77-5) is a chemical compound with molecular formula C6H3F3N4O3 and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-(5-nitropyrimidin-2-yl)acetamide
Also Known As: 2,2,2-trifluoro-n-(5-nitropyrimidin-2-yl)acetamide, 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide, Trifluoro-N-(5-nitropyrimidin-2-yl)ethanimidic acid, 2,2,2-trifluoro-n-(5-nitro-pyrimidin-2-yl)-acetamide, 2,2,2-Trifluoro-N-(5-nitropyrimidin-2-yl)ethanimidic acid
| Molecular Formula | C6H3F3N4O3 |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.01573 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 658-77-5 |
|---|---|
| SMILES | C1=C(C=NC(=N1)NC(=O)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | XNRDQOMWWCVGSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide (CAS 658-77-5), with molecular formula C6H3F3N4O3 and molecular weight 236.02 g/mol. IUPAC: 2,2,2-trifluoro-N-(5-nitropyrimidin-2-yl)acetamide.
Chemical Property Profile of 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide
Property Insights of 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide. Following Lipinski's Rule of Five, 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide has 1 hydrogen bond donor(s) and 8 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 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide?
The CAS number of 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide is 658-77-5.
What is the molecular formula of 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide?
The molecular formula of 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide is C6H3F3N4O3.
What is the molecular weight of 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide?
The molecular weight of 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide is 236.02 g/mol.
Where can I buy 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide?
You can request a quote for 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoro-N-(5-nitro-2-pyrimidinyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.