4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol

C13H10N2O2 — CID 764266

IUPAC4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol
SMILESOc1ccc(-c2cn3ccccc3n2)cc1O
InChIInChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-15-6-2-1-3-13(15)14-10/h1-8,16-17H
InChIKeyJFYGSKNPLRBMMG-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.41
Rot. Bonds1

About 4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol

4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol (PubChem CID 764266) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol.

Molecular Properties

Compound Name4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol
PubChem CID764266
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol
SMILESOc1ccc(-c2cn3ccccc3n2)cc1O
InChIInChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-15-6-2-1-3-13(15)14-10/h1-8,16-17H
InChIKeyJFYGSKNPLRBMMG-UHFFFAOYSA-N
XLogP2.41
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol?
The IUPAC name of 4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol (CID 764266) is 4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol.
What is the SMILES notation for 4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol?
The canonical SMILES for 4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol is Oc1ccc(-c2cn3ccccc3n2)cc1O.
What is the InChIKey of 4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol?
The InChIKey is JFYGSKNPLRBMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-15-6-2-1-3-13(15)14-10/h1-8,16-17H.
What are the key properties of 4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol?
4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol has a molecular weight of 226.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-a]pyridin-2-ylbenzene-1,2-diol is sourced from PubChem (CID 764266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).