2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol

C17H11F2NO3 — CID 166627759

IUPAC2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol
SMILESOc1cc(Oc2cccc(-c3ccc(O)c(F)c3)n2)ccc1F
InChIInChI=1S/C17H11F2NO3/c18-12-6-5-11(9-16(12)22)23-17-3-1-2-14(20-17)10-4-7-15(21)13(19)8-10/h1-9,21-22H
InChIKeyRTSDXIWYXSRYHV-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.23
Rot. Bonds3

About 2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol

2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol (PubChem CID 166627759) has the molecular formula C17H11F2NO3 and a molecular weight of 315.28 g/mol. Its IUPAC name is 2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol
PubChem CID166627759
Molecular FormulaC17H11F2NO3
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol
SMILESOc1cc(Oc2cccc(-c3ccc(O)c(F)c3)n2)ccc1F
InChIInChI=1S/C17H11F2NO3/c18-12-6-5-11(9-16(12)22)23-17-3-1-2-14(20-17)10-4-7-15(21)13(19)8-10/h1-9,21-22H
InChIKeyRTSDXIWYXSRYHV-UHFFFAOYSA-N
XLogP4.23
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol?
The IUPAC name of 2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol (CID 166627759) is 2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol.
What is the SMILES notation for 2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol?
The canonical SMILES for 2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol is Oc1cc(Oc2cccc(-c3ccc(O)c(F)c3)n2)ccc1F.
What is the InChIKey of 2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol?
The InChIKey is RTSDXIWYXSRYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO3/c18-12-6-5-11(9-16(12)22)23-17-3-1-2-14(20-17)10-4-7-15(21)13(19)8-10/h1-9,21-22H.
What are the key properties of 2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol?
2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol has a molecular weight of 315.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol is sourced from PubChem (CID 166627759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).