3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one

C20H11F2NO2 — CID 70312787

IUPAC3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one
SMILESO=C1C(c2cccnc2)=C(c2cc(F)cc(F)c2)c2cc(O)ccc21
InChIInChI=1S/C20H11F2NO2/c21-13-6-12(7-14(22)8-13)18-17-9-15(24)3-4-16(17)20(25)19(18)11-2-1-5-23-10-11/h1-10,24H
InChIKeyXCWTWUYELYDOMU-UHFFFAOYSA-N
MW335.31 g/mol
LogP4.22
Rot. Bonds2

About 3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one

3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one (PubChem CID 70312787) has the molecular formula C20H11F2NO2 and a molecular weight of 335.31 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one
PubChem CID70312787
Molecular FormulaC20H11F2NO2
Molecular Weight335.31 g/mol
Exact Mass335.08
IUPAC Name3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one
SMILESO=C1C(c2cccnc2)=C(c2cc(F)cc(F)c2)c2cc(O)ccc21
InChIInChI=1S/C20H11F2NO2/c21-13-6-12(7-14(22)8-13)18-17-9-15(24)3-4-16(17)20(25)19(18)11-2-1-5-23-10-11/h1-10,24H
InChIKeyXCWTWUYELYDOMU-UHFFFAOYSA-N
XLogP4.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one?
The IUPAC name of 3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one (CID 70312787) is 3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one.
What is the SMILES notation for 3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one?
The canonical SMILES for 3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one is O=C1C(c2cccnc2)=C(c2cc(F)cc(F)c2)c2cc(O)ccc21.
What is the InChIKey of 3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one?
The InChIKey is XCWTWUYELYDOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2NO2/c21-13-6-12(7-14(22)8-13)18-17-9-15(24)3-4-16(17)20(25)19(18)11-2-1-5-23-10-11/h1-10,24H.
What are the key properties of 3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one?
3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one has a molecular weight of 335.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-5-hydroxy-2-pyridin-3-ylinden-1-one is sourced from PubChem (CID 70312787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).