5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate
TL;DR: 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate (CAS 157373-98-3) is a chemical compound with molecular formula C6H3F3N2O5S and molecular weight 271.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitro-2-pyridinyl) trifluoromethanesulfonate
Also Known As: 5-nitropyridin-2-yl trifluoromethanesulfonate, 5-nitro-2-(trifluoromethylsulfonyloxy)pyridine, J3.349.622B, Trifluoromethanesulfonic acid 5-nitro-2-pyridinyl ester, (5-nitropyridin-2-yl) trifluoromethanesulfonate
| Molecular Formula | C6H3F3N2O5S |
|---|---|
| Molecular Weight | 271.97 g/mol |
| LogP | 1.2182 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.97147 |
| Heavy Atoms | 17 |
| Complexity | 523.577 |
Chemical Identifiers
| CAS Number | 157373-98-3 |
|---|---|
| SMILES | C1=CC(=NC=C1[N+](=O)[O-])OS(=O)(=O)C(F)(F)F |
Product Overview
5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate (CAS 157373-98-3), with molecular formula C6H3F3N2O5S and molecular weight 271.97 g/mol. IUPAC: (5-nitro-2-pyridinyl) trifluoromethanesulfonate.
Chemical Property Profile of 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate
Property Insights of 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate
The XLogP value of 1.2182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate. Following Lipinski's Rule of Five, 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 6 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-pyridinyl 1,1,1-trifluoromethanesulfonate?
The CAS number of 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate is 157373-98-3.
What is the molecular formula of 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate?
The molecular formula of 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate is C6H3F3N2O5S.
What is the molecular weight of 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate?
The molecular weight of 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate is 271.97 g/mol.
Where can I buy 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate?
You can request a quote for 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate 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-pyridinyl 1,1,1-trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-pyridinyl 1,1,1-trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.