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

C6H4F3NO2 — CID 118704239

IUPAC4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(O)c1C(F)(F)F
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)4-3(11)1-2-10-5(4)12/h1-2H,(H2,10,11,12)
InChIKeyBNOFEWHAHVWZFR-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.10
Rot. Bonds

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

4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118704239) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118704239
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(O)c1C(F)(F)F
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)4-3(11)1-2-10-5(4)12/h1-2H,(H2,10,11,12)
InChIKeyBNOFEWHAHVWZFR-UHFFFAOYSA-N
XLogP1.10
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one (CID 118704239) is 4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]ccc(O)c1C(F)(F)F.
What is the InChIKey of 4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is BNOFEWHAHVWZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-6(8,9)4-3(11)1-2-10-5(4)12/h1-2H,(H2,10,11,12).
What are the key properties of 4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one?
4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 179.10 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118704239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).