5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol

C17H10F3NO2 — CID 166636236

IUPAC5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3c(F)cccc3F)n2)ccc1F
InChIInChI=1S/C17H10F3NO2/c18-11-8-7-10(9-15(11)22)23-16-6-2-5-14(21-16)17-12(19)3-1-4-13(17)20/h1-9,22H
InChIKeyFWROQTKJIXZAMO-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.66
Rot. Bonds3

About 5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol

5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol (PubChem CID 166636236) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol.

Molecular Properties

Compound Name5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
PubChem CID166636236
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol
SMILESOc1cc(Oc2cccc(-c3c(F)cccc3F)n2)ccc1F
InChIInChI=1S/C17H10F3NO2/c18-11-8-7-10(9-15(11)22)23-16-6-2-5-14(21-16)17-12(19)3-1-4-13(17)20/h1-9,22H
InChIKeyFWROQTKJIXZAMO-UHFFFAOYSA-N
XLogP4.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
The IUPAC name of 5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol (CID 166636236) is 5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol.
What is the SMILES notation for 5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
The canonical SMILES for 5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol is Oc1cc(Oc2cccc(-c3c(F)cccc3F)n2)ccc1F.
What is the InChIKey of 5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
The InChIKey is FWROQTKJIXZAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2/c18-11-8-7-10(9-15(11)22)23-16-6-2-5-14(21-16)17-12(19)3-1-4-13(17)20/h1-9,22H.
What are the key properties of 5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol?
5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol has a molecular weight of 317.27 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2,6-difluorophenyl)-2-pyridinyl]oxy]-2-fluorophenol is sourced from PubChem (CID 166636236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).