2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide
TL;DR: 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide (CAS 287177-01-9) is a chemical compound with molecular formula C13H6ClF3N4O5 and molecular weight 390.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
Also Known As: 3-Pyridinecarboxamide der., 2-chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide, 2-chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide, 3-Pyridinecarboxamide, 2-chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)-
| Molecular Formula | C13H6ClF3N4O5 |
|---|---|
| Molecular Weight | 390.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.9979 |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 287177-01-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=C(C(=N2)Cl)C(=O)N)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | NAGHFWZDLMMRAN-UHFFFAOYSA-N |
Product Overview
2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide (CAS 287177-01-9), with molecular formula C13H6ClF3N4O5 and molecular weight 390.00 g/mol. IUPAC: 2-chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
Chemical Property Profile of 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide
Property Insights of 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide. The TPSA of 148.0 Ų indicates high polarity, suggesting 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide has 1 hydrogen bond donor(s) and 9 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-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide?
The CAS number of 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide is 287177-01-9.
What is the molecular formula of 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide?
The molecular formula of 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide is C13H6ClF3N4O5.
What is the molecular weight of 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide?
The molecular weight of 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide is 390.00 g/mol.
Where can I buy 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide?
You can request a quote for 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-nitro-6-(3-nitrophenyl)-4-(trifluoromethyl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.