3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one

C6H4F3NO2 — CID 66872287

IUPAC3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1O
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)
InChIKeyOOFGZDCVYPUSBJ-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.10
Rot. Bonds

About 3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one

3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 66872287) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID66872287
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1O
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12)
InChIKeyOOFGZDCVYPUSBJ-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 3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one (CID 66872287) is 3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)cc1O.
What is the InChIKey of 3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OOFGZDCVYPUSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(11)5(12)10-2-3/h1-2,11H,(H,10,12).
What are the key properties of 3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
3-hydroxy-5-(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 3-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 66872287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).