(E)-1-phenyl-2-pyridin-2-ylethenol

C13H11NO — CID 135972082

IUPAC(E)-1-phenyl-2-pyridin-2-ylethenol
SMILESO/C(=C/c1ccccn1)c1ccccc1
InChIInChI=1S/C13H11NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-10,15H/b13-10+
InChIKeyIXQUHMXYFKDBDA-JLHYYAGUSA-N
MW197.24 g/mol
LogP3.14
Rot. Bonds2

About (E)-1-phenyl-2-pyridin-2-ylethenol

(E)-1-phenyl-2-pyridin-2-ylethenol (PubChem CID 135972082) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is (E)-1-phenyl-2-pyridin-2-ylethenol.

Molecular Properties

Compound Name(E)-1-phenyl-2-pyridin-2-ylethenol
PubChem CID135972082
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name(E)-1-phenyl-2-pyridin-2-ylethenol
SMILESO/C(=C/c1ccccn1)c1ccccc1
InChIInChI=1S/C13H11NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-10,15H/b13-10+
InChIKeyIXQUHMXYFKDBDA-JLHYYAGUSA-N
XLogP3.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-2-pyridin-2-ylethenol?
The IUPAC name of (E)-1-phenyl-2-pyridin-2-ylethenol (CID 135972082) is (E)-1-phenyl-2-pyridin-2-ylethenol.
What is the SMILES notation for (E)-1-phenyl-2-pyridin-2-ylethenol?
The canonical SMILES for (E)-1-phenyl-2-pyridin-2-ylethenol is O/C(=C/c1ccccn1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-2-pyridin-2-ylethenol?
The InChIKey is IXQUHMXYFKDBDA-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H11NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-10,15H/b13-10+.
What are the key properties of (E)-1-phenyl-2-pyridin-2-ylethenol?
(E)-1-phenyl-2-pyridin-2-ylethenol has a molecular weight of 197.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-2-pyridin-2-ylethenol is sourced from PubChem (CID 135972082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).