3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol

C13H11NO3 — CID 2831231

IUPAC3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol
SMILESOC1(c2ccccn2)COc2ccccc2O1
InChIInChI=1S/C13H11NO3/c15-13(12-7-3-4-8-14-12)9-16-10-5-1-2-6-11(10)17-13/h1-8,15H,9H2
InChIKeyUQBAZSZCNIKUNS-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.70
Rot. Bonds1

About 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol

3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol (PubChem CID 2831231) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol.

Molecular Properties

Compound Name3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol
PubChem CID2831231
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol
SMILESOC1(c2ccccn2)COc2ccccc2O1
InChIInChI=1S/C13H11NO3/c15-13(12-7-3-4-8-14-12)9-16-10-5-1-2-6-11(10)17-13/h1-8,15H,9H2
InChIKeyUQBAZSZCNIKUNS-UHFFFAOYSA-N
XLogP1.70
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol?
The IUPAC name of 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol (CID 2831231) is 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol.
What is the SMILES notation for 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol?
The canonical SMILES for 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol is OC1(c2ccccn2)COc2ccccc2O1.
What is the InChIKey of 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol?
The InChIKey is UQBAZSZCNIKUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(12-7-3-4-8-14-12)9-16-10-5-1-2-6-11(10)17-13/h1-8,15H,9H2.
What are the key properties of 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol?
3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol has a molecular weight of 229.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol is sourced from PubChem (CID 2831231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).