2-[(4-iodophenyl)diazenyl]propanedinitrile

C9H5IN4 — CID 22349

IUPAC2-[(4-iodophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1ccc(I)cc1
InChIInChI=1S/C9H5IN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H/b14-13+
InChIKeyDETWKLHENUVUKN-BUHFOSPRSA-N
MW296.07 g/mol
LogP2.79
Rot. Bonds2

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

2-[(4-iodophenyl)diazenyl]propanedinitrile (PubChem CID 22349) has the molecular formula C9H5IN4 and a molecular weight of 296.07 g/mol. Its IUPAC name is 2-[(4-iodophenyl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(4-iodophenyl)diazenyl]propanedinitrile
PubChem CID22349
Molecular FormulaC9H5IN4
Molecular Weight296.07 g/mol
Exact Mass295.96
IUPAC Name2-[(4-iodophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1ccc(I)cc1
InChIInChI=1S/C9H5IN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H/b14-13+
InChIKeyDETWKLHENUVUKN-BUHFOSPRSA-N
XLogP2.79
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 52.79
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Azidobenzene
CID 69319
2-(2-Phenyldiazenyl)propanedinitrile
CID 22347
1-Azido-4-iodobenzene
CID 3016836
3,3-Dimethyl-1-(p-iodophenyl)triazene
CID 90105
Methyl(phenylazo)malononitrile
CID 19297
1-Azido-2-iodobenzene
CID 12735295
1-Azido-3-iodobenzene
CID 43154614
4-Iodoazobenzene
CID 226040
Ethyl(phenylazo)malononitrile
CID 19303
((4-Iodo-o-tolyl)azo)malononitrile
CID 22352
((p-(Phenylazo)phenyl)azo)malononitrile
CID 56711
N-(2-Iodophenyl)diazenyl-N-methyl-methanamine
CID 299782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(4-iodophenyl)diazenyl]propanedinitrile (CID 22349) is 2-[(4-iodophenyl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(4-iodophenyl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(4-iodophenyl)diazenyl]propanedinitrile is N#CC(C#N)/N=N/c1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodophenyl)diazenyl]propanedinitrile?
The InChIKey is DETWKLHENUVUKN-BUHFOSPRSA-N. The full InChI is InChI=1S/C9H5IN4/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-iodophenyl)diazenyl]propanedinitrile?
2-[(4-iodophenyl)diazenyl]propanedinitrile has a molecular weight of 296.07 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)diazenyl]propanedinitrile is sourced from PubChem (CID 22349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).