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

C6H4F3NO3 — CID 118991199

IUPAC3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(OC(F)(F)F)c1O
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)13-3-1-2-10-5(12)4(3)11/h1-2,11H,(H,10,12)
InChIKeyVNJUQEKJEVMOJE-UHFFFAOYSA-N
MW195.10 g/mol
LogP0.98
Rot. Bonds1

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

3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118991199) has the molecular formula C6H4F3NO3 and a molecular weight of 195.10 g/mol. Its IUPAC name is 3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118991199
Molecular FormulaC6H4F3NO3
Molecular Weight195.10 g/mol
Exact Mass195.01
IUPAC Name3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(OC(F)(F)F)c1O
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)13-3-1-2-10-5(12)4(3)11/h1-2,11H,(H,10,12)
InChIKeyVNJUQEKJEVMOJE-UHFFFAOYSA-N
XLogP0.98
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 118991199) is 3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]ccc(OC(F)(F)F)c1O.
What is the InChIKey of 3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is VNJUQEKJEVMOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3/c7-6(8,9)13-3-1-2-10-5(12)4(3)11/h1-2,11H,(H,10,12).
What are the key properties of 3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 195.10 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118991199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).