1H-indol-3-yl-(4-nitrophenyl)diazene

C14H10N4O2 — CID 135447734

IUPAC1H-indol-3-yl-(4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C14H10N4O2/c19-18(20)11-7-5-10(6-8-11)16-17-14-9-15-13-4-2-1-3-12(13)14/h1-9,15H/b17-16+
InChIKeyQWQRNPXFMRBXDX-WUKNDPDISA-N
MW266.26 g/mol
LogP4.49
Rot. Bonds3

About 1H-indol-3-yl-(4-nitrophenyl)diazene

1H-indol-3-yl-(4-nitrophenyl)diazene (PubChem CID 135447734) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1H-indol-3-yl-(4-nitrophenyl)diazene.

Molecular Properties

Compound Name1H-indol-3-yl-(4-nitrophenyl)diazene
PubChem CID135447734
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name1H-indol-3-yl-(4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C14H10N4O2/c19-18(20)11-7-5-10(6-8-11)16-17-14-9-15-13-4-2-1-3-12(13)14/h1-9,15H/b17-16+
InChIKeyQWQRNPXFMRBXDX-WUKNDPDISA-N
XLogP4.49
TPSA83.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(4-nitrophenyl)diazene?
The IUPAC name of 1H-indol-3-yl-(4-nitrophenyl)diazene (CID 135447734) is 1H-indol-3-yl-(4-nitrophenyl)diazene.
What is the SMILES notation for 1H-indol-3-yl-(4-nitrophenyl)diazene?
The canonical SMILES for 1H-indol-3-yl-(4-nitrophenyl)diazene is O=[N+]([O-])c1ccc(/N=N/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1H-indol-3-yl-(4-nitrophenyl)diazene?
The InChIKey is QWQRNPXFMRBXDX-WUKNDPDISA-N. The full InChI is InChI=1S/C14H10N4O2/c19-18(20)11-7-5-10(6-8-11)16-17-14-9-15-13-4-2-1-3-12(13)14/h1-9,15H/b17-16+.
What are the key properties of 1H-indol-3-yl-(4-nitrophenyl)diazene?
1H-indol-3-yl-(4-nitrophenyl)diazene has a molecular weight of 266.26 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(4-nitrophenyl)diazene is sourced from PubChem (CID 135447734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).