3-Acetylamino-2-hydroxy-5-(trifluoromethyl)pyridine

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Product Information

Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.15
Description
3-Acetylamino-2-hydroxy-5-(trifluoromethyl)pyridine is a ligand developed by the Jin-Quan Yu group to affect the meta-selective C-H functionalization of phenols and anilines, including heterocyclic variants of these arenes.
Synonyms
3-Acetylamino-2-hydroxy-5-(trifluoromethyl)pyridine, 95%; N-[1,2-Dihydro-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide; 3-ACETYLAMINO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE; N-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl)acetamide
IUPAC Name
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
Canonical SMILES
CC(=O)NC1=CC(=CNC1=O)C(F)(F)F
InChI
InChI=1S/C8H7F3N2O2/c1-4(14)13-6-2-5(8(9,10)11)3-12-7(6)15/h2-3H,1H3,(H,12,15)(H,13,14)
InChI Key
SEXUKPGDELONHT-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

XLogP3
0
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
220.04596196 g/mol
Monoisotopic Mass
220.04596196 g/mol
Topological Polar Surface Area
58.2Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
369
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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