3,5-dibromo-4-phenyldiazenylaniline

C12H9Br2N3 — CID 71330530

IUPAC3,5-dibromo-4-phenyldiazenylaniline
SMILESNc1cc(Br)c(/N=N/c2ccccc2)c(Br)c1
InChIInChI=1S/C12H9Br2N3/c13-10-6-8(15)7-11(14)12(10)17-16-9-4-2-1-3-5-9/h1-7H,15H2/b17-16+
InChIKeyZQQZGMGHLVWHBZ-WUKNDPDISA-N
MW355.03 g/mol
LogP5.21
Rot. Bonds2

About 3,5-dibromo-4-phenyldiazenylaniline

3,5-dibromo-4-phenyldiazenylaniline (PubChem CID 71330530) has the molecular formula C12H9Br2N3 and a molecular weight of 355.03 g/mol. Its IUPAC name is 3,5-dibromo-4-phenyldiazenylaniline.

Molecular Properties

Compound Name3,5-dibromo-4-phenyldiazenylaniline
PubChem CID71330530
Molecular FormulaC12H9Br2N3
Molecular Weight355.03 g/mol
Exact Mass352.92
IUPAC Name3,5-dibromo-4-phenyldiazenylaniline
SMILESNc1cc(Br)c(/N=N/c2ccccc2)c(Br)c1
InChIInChI=1S/C12H9Br2N3/c13-10-6-8(15)7-11(14)12(10)17-16-9-4-2-1-3-5-9/h1-7H,15H2/b17-16+
InChIKeyZQQZGMGHLVWHBZ-WUKNDPDISA-N
XLogP5.21
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.03
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-phenyldiazenylaniline?
The IUPAC name of 3,5-dibromo-4-phenyldiazenylaniline (CID 71330530) is 3,5-dibromo-4-phenyldiazenylaniline.
What is the SMILES notation for 3,5-dibromo-4-phenyldiazenylaniline?
The canonical SMILES for 3,5-dibromo-4-phenyldiazenylaniline is Nc1cc(Br)c(/N=N/c2ccccc2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-phenyldiazenylaniline?
The InChIKey is ZQQZGMGHLVWHBZ-WUKNDPDISA-N. The full InChI is InChI=1S/C12H9Br2N3/c13-10-6-8(15)7-11(14)12(10)17-16-9-4-2-1-3-5-9/h1-7H,15H2/b17-16+.
What are the key properties of 3,5-dibromo-4-phenyldiazenylaniline?
3,5-dibromo-4-phenyldiazenylaniline has a molecular weight of 355.03 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-phenyldiazenylaniline is sourced from PubChem (CID 71330530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).