2-[(4-bromophenyl)diazenyl]propanedinitrile

C9H5BrN4 — CID 21650

IUPAC2-[(4-bromophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1ccc(Br)cc1
InChIInChI=1S/C9H5BrN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H/b14-13+
InChIKeyCIFOXOQVWXRACF-BUHFOSPRSA-N
MW249.07 g/mol
LogP2.95
Rot. Bonds2

About 2-[(4-bromophenyl)diazenyl]propanedinitrile

2-[(4-bromophenyl)diazenyl]propanedinitrile (PubChem CID 21650) has the molecular formula C9H5BrN4 and a molecular weight of 249.07 g/mol. Its IUPAC name is 2-[(4-bromophenyl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(4-bromophenyl)diazenyl]propanedinitrile
PubChem CID21650
Molecular FormulaC9H5BrN4
Molecular Weight249.07 g/mol
Exact Mass247.97
IUPAC Name2-[(4-bromophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1ccc(Br)cc1
InChIInChI=1S/C9H5BrN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H/b14-13+
InChIKeyCIFOXOQVWXRACF-BUHFOSPRSA-N
XLogP2.95
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 52.95
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

2-(2-Phenyldiazenyl)propanedinitrile
CID 22347
1-(4-Bromophenyl)-3,3-dimethyl-1-triazene
CID 81652
1-Azido-4-bromobenzene
CID 75005
4-Bromoazobenzene
CID 226037
4,4'-Dibromoazobenzene
CID 137099
1-Azido-3-bromobenzene
CID 560794
1-Azido-2-bromobenzene
CID 560796
1-Bromo-4-isocyanobenzene
CID 2757129
((2,4,6-Tribromophenyl)azo)malononitrile
CID 22359
4-Bromobenzene-1-diazonium
CID 2734811
((4-Bromo-o-tolyl)azo)malononitrile
CID 22351
((4-Bromo-m-tolyl)azo)malononitrile
CID 22353

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(4-bromophenyl)diazenyl]propanedinitrile (CID 21650) is 2-[(4-bromophenyl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(4-bromophenyl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(4-bromophenyl)diazenyl]propanedinitrile is N#CC(C#N)/N=N/c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)diazenyl]propanedinitrile?
The InChIKey is CIFOXOQVWXRACF-BUHFOSPRSA-N. The full InChI is InChI=1S/C9H5BrN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H/b14-13+.
What are the key properties of 2-[(4-bromophenyl)diazenyl]propanedinitrile?
2-[(4-bromophenyl)diazenyl]propanedinitrile has a molecular weight of 249.07 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)diazenyl]propanedinitrile is sourced from PubChem (CID 21650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).