1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one

C12H7F4NO2 — CID 19739588

IUPAC1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)(F)F)ccn1-c1ccc(O)cc1F
InChIInChI=1S/C12H7F4NO2/c13-9-6-8(18)1-2-10(9)17-4-3-7(5-11(17)19)12(14,15)16/h1-6,18H
InChIKeyXSKOPEYATXAAPV-UHFFFAOYSA-N
MW273.19 g/mol
LogP2.70
Rot. Bonds1

About 1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one

1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 19739588) has the molecular formula C12H7F4NO2 and a molecular weight of 273.19 g/mol. Its IUPAC name is 1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one
PubChem CID19739588
Molecular FormulaC12H7F4NO2
Molecular Weight273.19 g/mol
Exact Mass273.04
IUPAC Name1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)(F)F)ccn1-c1ccc(O)cc1F
InChIInChI=1S/C12H7F4NO2/c13-9-6-8(18)1-2-10(9)17-4-3-7(5-11(17)19)12(14,15)16/h1-6,18H
InChIKeyXSKOPEYATXAAPV-UHFFFAOYSA-N
XLogP2.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one (CID 19739588) is 1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one is O=c1cc(C(F)(F)F)ccn1-c1ccc(O)cc1F.
What is the InChIKey of 1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is XSKOPEYATXAAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO2/c13-9-6-8(18)1-2-10(9)17-4-3-7(5-11(17)19)12(14,15)16/h1-6,18H.
What are the key properties of 1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one?
1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 273.19 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 19739588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).