(E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol

C13H9F2NO — CID 137298663

IUPAC(E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol
SMILESO/C(=C/c1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C13H9F2NO/c14-9-4-5-12(15)11(7-9)13(17)8-10-3-1-2-6-16-10/h1-8,17H/b13-8+
InChIKeyOVNDYXZCCOXDEP-MDWZMJQESA-N
MW233.22 g/mol
LogP3.42
Rot. Bonds2

About (E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol

(E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol (PubChem CID 137298663) has the molecular formula C13H9F2NO and a molecular weight of 233.22 g/mol. Its IUPAC name is (E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol.

Molecular Properties

Compound Name(E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol
PubChem CID137298663
Molecular FormulaC13H9F2NO
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name(E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol
SMILESO/C(=C/c1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C13H9F2NO/c14-9-4-5-12(15)11(7-9)13(17)8-10-3-1-2-6-16-10/h1-8,17H/b13-8+
InChIKeyOVNDYXZCCOXDEP-MDWZMJQESA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 53.42
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-(2,5-difluorophenyl)-2-pyridin-2-ylethenol?
The IUPAC name of (E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol (CID 137298663) is (E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol.
What is the SMILES notation for (E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol?
The canonical SMILES for (E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol is O/C(=C/c1ccccn1)c1cc(F)ccc1F.
What is the InChIKey of (E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol?
The InChIKey is OVNDYXZCCOXDEP-MDWZMJQESA-N. The full InChI is InChI=1S/C13H9F2NO/c14-9-4-5-12(15)11(7-9)13(17)8-10-3-1-2-6-16-10/h1-8,17H/b13-8+.
What are the key properties of (E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol?
(E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol has a molecular weight of 233.22 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-difluorophenyl)-2-pyridin-2-ylethenol is sourced from PubChem (CID 137298663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).