(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one

C13H10N2O2 — CID 91870939

IUPAC(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C(/O)c1ccccn1)c1ccccn1
InChIInChI=1S/C13H10N2O2/c16-12(10-5-1-3-7-14-10)9-13(17)11-6-2-4-8-15-11/h1-9,16H/b12-9+
InChIKeyYREJDANBEBFMKW-FMIVXFBMSA-N
MW226.24 g/mol
LogP2.26
Rot. Bonds3

About (E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one

(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one (PubChem CID 91870939) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is (E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
PubChem CID91870939
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C(/O)c1ccccn1)c1ccccn1
InChIInChI=1S/C13H10N2O2/c16-12(10-5-1-3-7-14-10)9-13(17)11-6-2-4-8-15-11/h1-9,16H/b12-9+
InChIKeyYREJDANBEBFMKW-FMIVXFBMSA-N
XLogP2.26
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one (CID 91870939) is (E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one is O=C(/C=C(/O)c1ccccn1)c1ccccn1.
What is the InChIKey of (E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one?
The InChIKey is YREJDANBEBFMKW-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-12(10-5-1-3-7-14-10)9-13(17)11-6-2-4-8-15-11/h1-9,16H/b12-9+.
What are the key properties of (E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one?
(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one has a molecular weight of 226.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 91870939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).