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

C17H11F2NO3 — CID 166633376

IUPAC2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol
SMILESOc1cc(Oc2cccc(-c3cccc(F)c3O)n2)ccc1F
InChIInChI=1S/C17H11F2NO3/c18-12-8-7-10(9-15(12)21)23-16-6-2-5-14(20-16)11-3-1-4-13(19)17(11)22/h1-9,21-22H
InChIKeyRQEFBSHSSNNUQF-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.23
Rot. Bonds3

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

2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol (PubChem CID 166633376) has the molecular formula C17H11F2NO3 and a molecular weight of 315.28 g/mol. Its IUPAC name is 2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol
PubChem CID166633376
Molecular FormulaC17H11F2NO3
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol
SMILESOc1cc(Oc2cccc(-c3cccc(F)c3O)n2)ccc1F
InChIInChI=1S/C17H11F2NO3/c18-12-8-7-10(9-15(12)21)23-16-6-2-5-14(20-16)11-3-1-4-13(19)17(11)22/h1-9,21-22H
InChIKeyRQEFBSHSSNNUQF-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-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol?
The IUPAC name of 2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol (CID 166633376) is 2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol.
What is the SMILES notation for 2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol?
The canonical SMILES for 2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol is Oc1cc(Oc2cccc(-c3cccc(F)c3O)n2)ccc1F.
What is the InChIKey of 2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol?
The InChIKey is RQEFBSHSSNNUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO3/c18-12-8-7-10(9-15(12)21)23-16-6-2-5-14(20-16)11-3-1-4-13(19)17(11)22/h1-9,21-22H.
What are the key properties of 2-fluoro-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol?
2-fluoro-6-[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-6-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]phenol is sourced from PubChem (CID 166633376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).