3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile

C14H10N2O — CID 149329271

IUPAC3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccccn2)c(O)c1
InChIInChI=1S/C14H10N2O/c15-10-11-4-5-12(14(17)9-11)6-7-13-3-1-2-8-16-13/h1-9,17H/b7-6+
InChIKeyYBZMMVLHHQEJQY-VOTSOKGWSA-N
MW222.25 g/mol
LogP2.83
Rot. Bonds2

About 3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile

3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile (PubChem CID 149329271) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile.

Molecular Properties

Compound Name3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile
PubChem CID149329271
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccccn2)c(O)c1
InChIInChI=1S/C14H10N2O/c15-10-11-4-5-12(14(17)9-11)6-7-13-3-1-2-8-16-13/h1-9,17H/b7-6+
InChIKeyYBZMMVLHHQEJQY-VOTSOKGWSA-N
XLogP2.83
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile?
The IUPAC name of 3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile (CID 149329271) is 3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile.
What is the SMILES notation for 3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile?
The canonical SMILES for 3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccccn2)c(O)c1.
What is the InChIKey of 3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile?
The InChIKey is YBZMMVLHHQEJQY-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10N2O/c15-10-11-4-5-12(14(17)9-11)6-7-13-3-1-2-8-16-13/h1-9,17H/b7-6+.
What are the key properties of 3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile?
3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(E)-2-pyridin-2-ylethenyl]benzonitrile is sourced from PubChem (CID 149329271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).