3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile

C18H12N2O2 — CID 71460888

IUPAC3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cccc(Oc2ccc(-c3cccc(O)c3)nc2)c1
InChIInChI=1S/C18H12N2O2/c19-11-13-3-1-6-16(9-13)22-17-7-8-18(20-12-17)14-4-2-5-15(21)10-14/h1-10,12,21H
InChIKeyVUWYQPZMKVVUEX-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.12
Rot. Bonds3

About 3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile

3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile (PubChem CID 71460888) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile
PubChem CID71460888
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cccc(Oc2ccc(-c3cccc(O)c3)nc2)c1
InChIInChI=1S/C18H12N2O2/c19-11-13-3-1-6-16(9-13)22-17-7-8-18(20-12-17)14-4-2-5-15(21)10-14/h1-10,12,21H
InChIKeyVUWYQPZMKVVUEX-UHFFFAOYSA-N
XLogP4.12
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777738
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
5-Hexyl-2-pyridin-3-yloxyphenol
CID 44450159
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
4-(3-{4-[(S)-Cyclopentyl(Hydroxy)pyridin-2-Ylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 71777739
(R)-4-(5-(Pyrrolidin-3-ylmethoxy)-2-(p-tolyl)pyridin-3-yl)benzonitrile
CID 72793898
5-Ethyl-4-Fluoro-2-[(2-Methylpyridin-3-Yl)oxy]phenol
CID 124201637
4,5-Di(3-pyridinyloxy)phthalonitrile
CID 628668
4-Pyridin-3-yloxybenzene-1,2-dicarbonitrile
CID 882273
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]benzonitrile
CID 20744801
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]phenol
CID 23646972
4''-(6-Methoxypyridin-3-yl)biphenyl-3-ol
CID 46887511

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile (CID 71460888) is 3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile is N#Cc1cccc(Oc2ccc(-c3cccc(O)c3)nc2)c1.
What is the InChIKey of 3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile?
The InChIKey is VUWYQPZMKVVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c19-11-13-3-1-6-16(9-13)22-17-7-8-18(20-12-17)14-4-2-5-15(21)10-14/h1-10,12,21H.
What are the key properties of 3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile?
3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile has a molecular weight of 288.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 71460888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).