5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol

C13H11NO2 — CID 11564746

IUPAC5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2ccncc2)c1
InChIInChI=1S/C13H11NO2/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14-6-4-10/h1-9,15-16H/b2-1+
InChIKeyWWDDQISLKWALQW-OWOJBTEDSA-N
MW213.24 g/mol
LogP2.66
Rot. Bonds2

About 5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol

5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol (PubChem CID 11564746) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol
PubChem CID11564746
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2ccncc2)c1
InChIInChI=1S/C13H11NO2/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14-6-4-10/h1-9,15-16H/b2-1+
InChIKeyWWDDQISLKWALQW-OWOJBTEDSA-N
XLogP2.66
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol (CID 11564746) is 5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol is Oc1cc(O)cc(/C=C/c2ccncc2)c1.
What is the InChIKey of 5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol?
The InChIKey is WWDDQISLKWALQW-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H11NO2/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14-6-4-10/h1-9,15-16H/b2-1+.
What are the key properties of 5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol?
5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol has a molecular weight of 213.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-pyridin-4-ylethenyl]benzene-1,3-diol is sourced from PubChem (CID 11564746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).