5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate

C9H5BrN7O- — CID 135591556

IUPAC5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate
SMILES[O-]c1[nH]c2ccc(Br)cc2c1/N=N/c1nn[nH]n1
InChIInChI=1S/C9H6BrN7O/c10-4-1-2-6-5(3-4)7(8(18)11-6)12-13-9-14-16-17-15-9/h1-3,11,18H,(H,14,15,16,17)/p-1/b13-12+
InChIKeyODWKLYLGVYZEBX-OUKQBFOZSA-M
MW307.09 g/mol
LogP1.93
Rot. Bonds2

About 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate

5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate (PubChem CID 135591556) has the molecular formula C9H5BrN7O- and a molecular weight of 307.09 g/mol. Its IUPAC name is 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate.

Molecular Properties

Compound Name5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate
PubChem CID135591556
Molecular FormulaC9H5BrN7O-
Molecular Weight307.09 g/mol
Exact Mass305.97
IUPAC Name5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate
SMILES[O-]c1[nH]c2ccc(Br)cc2c1/N=N/c1nn[nH]n1
InChIInChI=1S/C9H6BrN7O/c10-4-1-2-6-5(3-4)7(8(18)11-6)12-13-9-14-16-17-15-9/h1-3,11,18H,(H,14,15,16,17)/p-1/b13-12+
InChIKeyODWKLYLGVYZEBX-OUKQBFOZSA-M
XLogP1.93
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate?
The IUPAC name of 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate (CID 135591556) is 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate.
What is the SMILES notation for 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate?
The canonical SMILES for 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate is [O-]c1[nH]c2ccc(Br)cc2c1/N=N/c1nn[nH]n1.
What is the InChIKey of 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate?
The InChIKey is ODWKLYLGVYZEBX-OUKQBFOZSA-M. The full InChI is InChI=1S/C9H6BrN7O/c10-4-1-2-6-5(3-4)7(8(18)11-6)12-13-9-14-16-17-15-9/h1-3,11,18H,(H,14,15,16,17)/p-1/b13-12+.
What are the key properties of 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate?
5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate has a molecular weight of 307.09 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2H-tetrazol-5-yldiazenyl)-1H-indol-2-olate is sourced from PubChem (CID 135591556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).