2-(pyridin-3-yldiazenyl)benzaldehyde

C12H9N3O — CID 87139690

IUPAC2-(pyridin-3-yldiazenyl)benzaldehyde
SMILESO=Cc1ccccc1/N=N/c1cccnc1
InChIInChI=1S/C12H9N3O/c16-9-10-4-1-2-6-12(10)15-14-11-5-3-7-13-8-11/h1-9H/b15-14+
InChIKeyKGABSZVCSVPCGG-CCEZHUSRSA-N
MW211.22 g/mol
LogP3.31
Rot. Bonds3

About 2-(pyridin-3-yldiazenyl)benzaldehyde

2-(pyridin-3-yldiazenyl)benzaldehyde (PubChem CID 87139690) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(pyridin-3-yldiazenyl)benzaldehyde.

Molecular Properties

Compound Name2-(pyridin-3-yldiazenyl)benzaldehyde
PubChem CID87139690
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-(pyridin-3-yldiazenyl)benzaldehyde
SMILESO=Cc1ccccc1/N=N/c1cccnc1
InChIInChI=1S/C12H9N3O/c16-9-10-4-1-2-6-12(10)15-14-11-5-3-7-13-8-11/h1-9H/b15-14+
InChIKeyKGABSZVCSVPCGG-CCEZHUSRSA-N
XLogP3.31
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-yldiazenyl)benzaldehyde?
The IUPAC name of 2-(pyridin-3-yldiazenyl)benzaldehyde (CID 87139690) is 2-(pyridin-3-yldiazenyl)benzaldehyde.
What is the SMILES notation for 2-(pyridin-3-yldiazenyl)benzaldehyde?
The canonical SMILES for 2-(pyridin-3-yldiazenyl)benzaldehyde is O=Cc1ccccc1/N=N/c1cccnc1.
What is the InChIKey of 2-(pyridin-3-yldiazenyl)benzaldehyde?
The InChIKey is KGABSZVCSVPCGG-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H9N3O/c16-9-10-4-1-2-6-12(10)15-14-11-5-3-7-13-8-11/h1-9H/b15-14+.
What are the key properties of 2-(pyridin-3-yldiazenyl)benzaldehyde?
2-(pyridin-3-yldiazenyl)benzaldehyde has a molecular weight of 211.22 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-yldiazenyl)benzaldehyde is sourced from PubChem (CID 87139690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).