2-[(4-nitrophenyl)diazenyl]propanedinitrile

C9H5N5O2 — CID 19496

IUPAC2-[(4-nitrophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H5N5O2/c10-5-8(6-11)13-12-7-1-3-9(4-2-7)14(15)16/h1-4,8H/b13-12+
InChIKeyJGNLOOXOIBSOLU-OUKQBFOZSA-N
MW215.17 g/mol
LogP2.09
Rot. Bonds3

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

2-[(4-nitrophenyl)diazenyl]propanedinitrile (PubChem CID 19496) has the molecular formula C9H5N5O2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(4-nitrophenyl)diazenyl]propanedinitrile
PubChem CID19496
Molecular FormulaC9H5N5O2
Molecular Weight215.17 g/mol
Exact Mass215.04
IUPAC Name2-[(4-nitrophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H5N5O2/c10-5-8(6-11)13-12-7-1-3-9(4-2-7)14(15)16/h1-4,8H/b13-12+
InChIKeyJGNLOOXOIBSOLU-OUKQBFOZSA-N
XLogP2.09
TPSA115.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Nitroaniline
CID 7475
1,4-Dinitrobenzene
CID 7492
Disperse orange 3
CID 12896
3,3-Dimethyl-1-(4-nitrophenyl)-1-triazene
CID 81648
1-(4-Nitrophenyl)-2-phenyldiazene
CID 17222
2-(2-Phenyldiazenyl)propanedinitrile
CID 22347
2-Nitrophenyl selenocyanate
CID 103931
1-Azido-4-nitrobenzene
CID 137049
1-Isocyano-4-nitrobenzene
CID 74802
4-Nitrobenzenediazonium
CID 66851
Selenocyanic acid, 4-nitrophenyl ester
CID 87955
3-Nitrophenyl azide
CID 150927

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(4-nitrophenyl)diazenyl]propanedinitrile (CID 19496) is 2-[(4-nitrophenyl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(4-nitrophenyl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(4-nitrophenyl)diazenyl]propanedinitrile is N#CC(C#N)/N=N/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrophenyl)diazenyl]propanedinitrile?
The InChIKey is JGNLOOXOIBSOLU-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H5N5O2/c10-5-8(6-11)13-12-7-1-3-9(4-2-7)14(15)16/h1-4,8H/b13-12+.
What are the key properties of 2-[(4-nitrophenyl)diazenyl]propanedinitrile?
2-[(4-nitrophenyl)diazenyl]propanedinitrile has a molecular weight of 215.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)diazenyl]propanedinitrile is sourced from PubChem (CID 19496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).