3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one

C6H5F3N2O2 — CID 130089031

IUPAC3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNc1c(OC(F)(F)F)cc[nH]c1=O
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)13-3-1-2-11-5(12)4(3)10/h1-2H,10H2,(H,11,12)
InChIKeyGAXXLJFJQZGWLG-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.86
Rot. Bonds1

About 3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one

3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130089031) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130089031
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNc1c(OC(F)(F)F)cc[nH]c1=O
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)13-3-1-2-11-5(12)4(3)10/h1-2H,10H2,(H,11,12)
InChIKeyGAXXLJFJQZGWLG-UHFFFAOYSA-N
XLogP0.86
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118991199
4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118844938
2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130088835
3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130092905
2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091724
2-amino-3-(trifluoromethoxy)benzaldehyde
CID 22649681
6-amino-3-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131072345
2-bromo-3-fluoro-6-(trifluoromethoxy)aniline
CID 118995381
4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118816791
3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091587
2-amino-6-fluoro-3-(trifluoromethoxy)benzoic acid
CID 119018842
2-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 53229611

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 130089031) is 3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one is Nc1c(OC(F)(F)F)cc[nH]c1=O.
What is the InChIKey of 3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is GAXXLJFJQZGWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)13-3-1-2-11-5(12)4(3)10/h1-2H,10H2,(H,11,12).
What are the key properties of 3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one?
3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 194.11 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130089031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).