4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one

C12H8F3NO3 — CID 123601037

IUPAC4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(O)c(C(F)(F)F)cn1-c1ccc(O)cc1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)9-6-16(11(19)5-10(9)18)7-1-3-8(17)4-2-7/h1-6,17-18H
InChIKeyFVNDXBLJWYEUNL-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.27
Rot. Bonds1

About 4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one

4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 123601037) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is 4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID123601037
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(O)c(C(F)(F)F)cn1-c1ccc(O)cc1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)9-6-16(11(19)5-10(9)18)7-1-3-8(17)4-2-7/h1-6,17-18H
InChIKeyFVNDXBLJWYEUNL-UHFFFAOYSA-N
XLogP2.27
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one (CID 123601037) is 4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one is O=c1cc(O)c(C(F)(F)F)cn1-c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is FVNDXBLJWYEUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c13-12(14,15)9-6-16(11(19)5-10(9)18)7-1-3-8(17)4-2-7/h1-6,17-18H.
What are the key properties of 4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one?
4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 271.19 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 123601037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).