5-bromo-3-diazenyl-1H-indol-2-ol

C8H6BrN3O — CID 17105

IUPAC5-bromo-3-diazenyl-1H-indol-2-ol
SMILES[H]/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(12-10)8(13)11-6/h1-3,10-11,13H/b12-10+
InChIKeyWIQKEHOIDIEVPQ-ZRDIBKRKSA-N
MW240.06 g/mol
LogP3.30
Rot. Bonds1

About 5-bromo-3-diazenyl-1H-indol-2-ol

5-bromo-3-diazenyl-1H-indol-2-ol (PubChem CID 17105) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 5-bromo-3-diazenyl-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-diazenyl-1H-indol-2-ol
PubChem CID17105
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name5-bromo-3-diazenyl-1H-indol-2-ol
SMILES[H]/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(12-10)8(13)11-6/h1-3,10-11,13H/b12-10+
InChIKeyWIQKEHOIDIEVPQ-ZRDIBKRKSA-N
XLogP3.30
TPSA72.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-bromo-3-diazenyl-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-diazenyl-1H-indol-2-ol (CID 17105) is 5-bromo-3-diazenyl-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-diazenyl-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-diazenyl-1H-indol-2-ol is [H]/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-diazenyl-1H-indol-2-ol?
The InChIKey is WIQKEHOIDIEVPQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(12-10)8(13)11-6/h1-3,10-11,13H/b12-10+.
What are the key properties of 5-bromo-3-diazenyl-1H-indol-2-ol?
5-bromo-3-diazenyl-1H-indol-2-ol has a molecular weight of 240.06 g/mol, XLogP of 3.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-diazenyl-1H-indol-2-ol is sourced from PubChem (CID 17105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).