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

C18H13F2NO3 — CID 166631056

IUPAC2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol
SMILESCOc1cccc(F)c1-c1cccc(Oc2ccc(F)c(O)c2)n1
InChIInChI=1S/C18H13F2NO3/c1-23-16-6-2-4-13(20)18(16)14-5-3-7-17(21-14)24-11-8-9-12(19)15(22)10-11/h2-10,22H,1H3
InChIKeyUYXNWYNXPSBULG-UHFFFAOYSA-N
MW329.30 g/mol
LogP4.53
Rot. Bonds4

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

2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol (PubChem CID 166631056) has the molecular formula C18H13F2NO3 and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol
PubChem CID166631056
Molecular FormulaC18H13F2NO3
Molecular Weight329.30 g/mol
Exact Mass329.09
IUPAC Name2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol
SMILESCOc1cccc(F)c1-c1cccc(Oc2ccc(F)c(O)c2)n1
InChIInChI=1S/C18H13F2NO3/c1-23-16-6-2-4-13(20)18(16)14-5-3-7-17(21-14)24-11-8-9-12(19)15(22)10-11/h2-10,22H,1H3
InChIKeyUYXNWYNXPSBULG-UHFFFAOYSA-N
XLogP4.53
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol?
The IUPAC name of 2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol (CID 166631056) is 2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol.
What is the SMILES notation for 2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol?
The canonical SMILES for 2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol is COc1cccc(F)c1-c1cccc(Oc2ccc(F)c(O)c2)n1.
What is the InChIKey of 2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol?
The InChIKey is UYXNWYNXPSBULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO3/c1-23-16-6-2-4-13(20)18(16)14-5-3-7-17(21-14)24-11-8-9-12(19)15(22)10-11/h2-10,22H,1H3.
What are the key properties of 2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol?
2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol has a molecular weight of 329.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]oxy]phenol is sourced from PubChem (CID 166631056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).