(4-pyridin-2-ylphenyl) 2-hydroxyacetate

C13H11NO3 — CID 117051700

IUPAC(4-pyridin-2-ylphenyl) 2-hydroxyacetate
SMILESO=C(CO)Oc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C13H11NO3/c15-9-13(16)17-11-6-4-10(5-7-11)12-3-1-2-8-14-12/h1-8,15H,9H2
InChIKeyWSZBZGIHUMRERU-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.65
Rot. Bonds3

About (4-pyridin-2-ylphenyl) 2-hydroxyacetate

(4-pyridin-2-ylphenyl) 2-hydroxyacetate (PubChem CID 117051700) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is (4-pyridin-2-ylphenyl) 2-hydroxyacetate.

Molecular Properties

Compound Name(4-pyridin-2-ylphenyl) 2-hydroxyacetate
PubChem CID117051700
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name(4-pyridin-2-ylphenyl) 2-hydroxyacetate
SMILESO=C(CO)Oc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C13H11NO3/c15-9-13(16)17-11-6-4-10(5-7-11)12-3-1-2-8-14-12/h1-8,15H,9H2
InChIKeyWSZBZGIHUMRERU-UHFFFAOYSA-N
XLogP1.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylphenyl) 2-hydroxyacetate?
The IUPAC name of (4-pyridin-2-ylphenyl) 2-hydroxyacetate (CID 117051700) is (4-pyridin-2-ylphenyl) 2-hydroxyacetate.
What is the SMILES notation for (4-pyridin-2-ylphenyl) 2-hydroxyacetate?
The canonical SMILES for (4-pyridin-2-ylphenyl) 2-hydroxyacetate is O=C(CO)Oc1ccc(-c2ccccn2)cc1.
What is the InChIKey of (4-pyridin-2-ylphenyl) 2-hydroxyacetate?
The InChIKey is WSZBZGIHUMRERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-9-13(16)17-11-6-4-10(5-7-11)12-3-1-2-8-14-12/h1-8,15H,9H2.
What are the key properties of (4-pyridin-2-ylphenyl) 2-hydroxyacetate?
(4-pyridin-2-ylphenyl) 2-hydroxyacetate has a molecular weight of 229.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylphenyl) 2-hydroxyacetate is sourced from PubChem (CID 117051700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).