4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile

C20H14N2O — CID 174884177

IUPAC4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1
InChIInChI=1S/C20H14N2O/c21-14-17-9-6-15(7-10-17)5-8-16-11-12-22-19(13-16)18-3-1-2-4-20(18)23/h1-13,23H/b8-5+
InChIKeyUBZYUWLDUOMGAE-VMPITWQZSA-N
MW298.35 g/mol
LogP4.50
Rot. Bonds3

About 4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile

4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile (PubChem CID 174884177) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile
PubChem CID174884177
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1
InChIInChI=1S/C20H14N2O/c21-14-17-9-6-15(7-10-17)5-8-16-11-12-22-19(13-16)18-3-1-2-4-20(18)23/h1-13,23H/b8-5+
InChIKeyUBZYUWLDUOMGAE-VMPITWQZSA-N
XLogP4.50
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile (CID 174884177) is 4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1.
What is the InChIKey of 4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile?
The InChIKey is UBZYUWLDUOMGAE-VMPITWQZSA-N. The full InChI is InChI=1S/C20H14N2O/c21-14-17-9-6-15(7-10-17)5-8-16-11-12-22-19(13-16)18-3-1-2-4-20(18)23/h1-13,23H/b8-5+.
What are the key properties of 4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile?
4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile has a molecular weight of 298.35 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile is sourced from PubChem (CID 174884177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).