2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol

C17H12FNO3 — CID 166628596

IUPAC2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol
SMILESOc1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C17H12FNO3/c18-14-8-7-13(10-16(14)21)22-17-6-2-5-15(19-17)11-3-1-4-12(20)9-11/h1-10,20-21H
InChIKeyHQIUBQNWPDUYPG-UHFFFAOYSA-N
MW297.29 g/mol
LogP4.09
Rot. Bonds3

About 2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol

2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol (PubChem CID 166628596) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol
PubChem CID166628596
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol
SMILESOc1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C17H12FNO3/c18-14-8-7-13(10-16(14)21)22-17-6-2-5-15(19-17)11-3-1-4-12(20)9-11/h1-10,20-21H
InChIKeyHQIUBQNWPDUYPG-UHFFFAOYSA-N
XLogP4.09
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol (CID 166628596) is 2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol is Oc1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1.
What is the InChIKey of 2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol?
The InChIKey is HQIUBQNWPDUYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-14-8-7-13(10-16(14)21)22-17-6-2-5-15(19-17)11-3-1-4-12(20)9-11/h1-10,20-21H.
What are the key properties of 2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol?
2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol has a molecular weight of 297.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[6-(3-hydroxyphenyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 166628596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).