2-[(3,5-dibromophenyl)diazenyl]propanedinitrile

C9H4Br2N4 — CID 22356

IUPAC2-[(3,5-dibromophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H4Br2N4/c10-6-1-7(11)3-8(2-6)14-15-9(4-12)5-13/h1-3,9H/b15-14+
InChIKeyCUSWODFMLKPHKI-CCEZHUSRSA-N
MW327.97 g/mol
LogP3.71
Rot. Bonds2

About 2-[(3,5-dibromophenyl)diazenyl]propanedinitrile

2-[(3,5-dibromophenyl)diazenyl]propanedinitrile (PubChem CID 22356) has the molecular formula C9H4Br2N4 and a molecular weight of 327.97 g/mol. Its IUPAC name is 2-[(3,5-dibromophenyl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(3,5-dibromophenyl)diazenyl]propanedinitrile
PubChem CID22356
Molecular FormulaC9H4Br2N4
Molecular Weight327.97 g/mol
Exact Mass325.88
IUPAC Name2-[(3,5-dibromophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H4Br2N4/c10-6-1-7(11)3-8(2-6)14-15-9(4-12)5-13/h1-3,9H/b15-14+
InChIKeyCUSWODFMLKPHKI-CCEZHUSRSA-N
XLogP3.71
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.97
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

((p-Bromophenyl)azo)malononitrile
CID 21650
1-Azido-3-bromobenzene
CID 560794
((2,4,6-Tribromophenyl)azo)malononitrile
CID 22359
3-Bromobenzenediazonium
CID 10376150
(3,5-Dibromophenyl)-phenyldiazene
CID 14869026
(3-Bromo-5-fluorophenyl)-propyldiazene
CID 91568289
1,2-Bis(3,5-dibromophenyl) diazene
CID 134996202
2,2-Bis[(4-bromophenyl)diazenyl]acetonitrile
CID 53689289
3,5-Dibromobenzenediazonium
CID 89421442
(3-Bromophenyl)-methyldiazene
CID 89965565
(3,5-Dibromophenyl)-methyldiazene
CID 89965573
(3-Bromophenyl)-propyldiazene
CID 90937764

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromophenyl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(3,5-dibromophenyl)diazenyl]propanedinitrile (CID 22356) is 2-[(3,5-dibromophenyl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(3,5-dibromophenyl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(3,5-dibromophenyl)diazenyl]propanedinitrile is N#CC(C#N)/N=N/c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-[(3,5-dibromophenyl)diazenyl]propanedinitrile?
The InChIKey is CUSWODFMLKPHKI-CCEZHUSRSA-N. The full InChI is InChI=1S/C9H4Br2N4/c10-6-1-7(11)3-8(2-6)14-15-9(4-12)5-13/h1-3,9H/b15-14+.
What are the key properties of 2-[(3,5-dibromophenyl)diazenyl]propanedinitrile?
2-[(3,5-dibromophenyl)diazenyl]propanedinitrile has a molecular weight of 327.97 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromophenyl)diazenyl]propanedinitrile is sourced from PubChem (CID 22356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).