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

C18H11FN2O2 — CID 166635800

IUPAC3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C18H11FN2O2/c19-15-8-7-14(10-17(15)22)23-18-6-2-5-16(21-18)13-4-1-3-12(9-13)11-20/h1-10,22H
InChIKeyJANYHCJYNTVSKY-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.26
Rot. Bonds3

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

3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile (PubChem CID 166635800) has the molecular formula C18H11FN2O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile
PubChem CID166635800
Molecular FormulaC18H11FN2O2
Molecular Weight306.30 g/mol
Exact Mass306.08
IUPAC Name3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1
InChIInChI=1S/C18H11FN2O2/c19-15-8-7-14(10-17(15)22)23-18-6-2-5-16(21-18)13-4-1-3-12(9-13)11-20/h1-10,22H
InChIKeyJANYHCJYNTVSKY-UHFFFAOYSA-N
XLogP4.26
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile?
The IUPAC name of 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile (CID 166635800) is 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile is N#Cc1cccc(-c2cccc(Oc3ccc(F)c(O)c3)n2)c1.
What is the InChIKey of 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile?
The InChIKey is JANYHCJYNTVSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2/c19-15-8-7-14(10-17(15)22)23-18-6-2-5-16(21-18)13-4-1-3-12(9-13)11-20/h1-10,22H.
What are the key properties of 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile?
3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile has a molecular weight of 306.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 166635800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).