4-(pyridin-3-yldiazenyl)benzene-1,3-diol

C11H9N3O2 — CID 611991

IUPAC4-(pyridin-3-yldiazenyl)benzene-1,3-diol
SMILESOc1ccc(/N=N/c2cccnc2)c(O)c1
InChIInChI=1S/C11H9N3O2/c15-9-3-4-10(11(16)6-9)14-13-8-2-1-5-12-7-8/h1-7,15-16H/b14-13+
InChIKeyHMTUJNNHOFMWTO-BUHFOSPRSA-N
MW215.21 g/mol
LogP2.91
Rot. Bonds2

About 4-(pyridin-3-yldiazenyl)benzene-1,3-diol

4-(pyridin-3-yldiazenyl)benzene-1,3-diol (PubChem CID 611991) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-(pyridin-3-yldiazenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(pyridin-3-yldiazenyl)benzene-1,3-diol
PubChem CID611991
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-(pyridin-3-yldiazenyl)benzene-1,3-diol
SMILESOc1ccc(/N=N/c2cccnc2)c(O)c1
InChIInChI=1S/C11H9N3O2/c15-9-3-4-10(11(16)6-9)14-13-8-2-1-5-12-7-8/h1-7,15-16H/b14-13+
InChIKeyHMTUJNNHOFMWTO-BUHFOSPRSA-N
XLogP2.91
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-yldiazenyl)benzene-1,3-diol?
The IUPAC name of 4-(pyridin-3-yldiazenyl)benzene-1,3-diol (CID 611991) is 4-(pyridin-3-yldiazenyl)benzene-1,3-diol.
What is the SMILES notation for 4-(pyridin-3-yldiazenyl)benzene-1,3-diol?
The canonical SMILES for 4-(pyridin-3-yldiazenyl)benzene-1,3-diol is Oc1ccc(/N=N/c2cccnc2)c(O)c1.
What is the InChIKey of 4-(pyridin-3-yldiazenyl)benzene-1,3-diol?
The InChIKey is HMTUJNNHOFMWTO-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-9-3-4-10(11(16)6-9)14-13-8-2-1-5-12-7-8/h1-7,15-16H/b14-13+.
What are the key properties of 4-(pyridin-3-yldiazenyl)benzene-1,3-diol?
4-(pyridin-3-yldiazenyl)benzene-1,3-diol has a molecular weight of 215.21 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-yldiazenyl)benzene-1,3-diol is sourced from PubChem (CID 611991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).