2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile

C9H4Cl2N4 — CID 19905

IUPAC2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H4Cl2N4/c10-6-1-2-8(11)9(3-6)15-14-7(4-12)5-13/h1-3,7H/b15-14+
InChIKeySPFZHOYQGKCQMU-CCEZHUSRSA-N
MW239.07 g/mol
LogP3.49
Rot. Bonds2

About 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile

2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile (PubChem CID 19905) has the molecular formula C9H4Cl2N4 and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile
PubChem CID19905
Molecular FormulaC9H4Cl2N4
Molecular Weight239.07 g/mol
Exact Mass237.98
IUPAC Name2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H4Cl2N4/c10-6-1-2-8(11)9(3-6)15-14-7(4-12)5-13/h1-3,7H/b15-14+
InChIKeySPFZHOYQGKCQMU-CCEZHUSRSA-N
XLogP3.49
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile (CID 19905) is 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile is N#CC(C#N)/N=N/c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile?
The InChIKey is SPFZHOYQGKCQMU-CCEZHUSRSA-N. The full InChI is InChI=1S/C9H4Cl2N4/c10-6-1-2-8(11)9(3-6)15-14-7(4-12)5-13/h1-3,7H/b15-14+.
What are the key properties of 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile?
2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile has a molecular weight of 239.07 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile is sourced from PubChem (CID 19905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).