6-bromo-1H-indole-4,7-diol

C8H6BrNO2 — CID 10513513

IUPAC6-bromo-1H-indole-4,7-diol
SMILESOc1cc(Br)c(O)c2[nH]ccc12
InChIInChI=1S/C8H6BrNO2/c9-5-3-6(11)4-1-2-10-7(4)8(5)12/h1-3,10-12H
InChIKeyQLTYFQFIBAIEHN-UHFFFAOYSA-N
MW228.04 g/mol
LogP2.34
Rot. Bonds

About 6-bromo-1H-indole-4,7-diol

6-bromo-1H-indole-4,7-diol (PubChem CID 10513513) has the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol. Its IUPAC name is 6-bromo-1H-indole-4,7-diol.

Molecular Properties

Compound Name6-bromo-1H-indole-4,7-diol
PubChem CID10513513
Molecular FormulaC8H6BrNO2
Molecular Weight228.04 g/mol
Exact Mass226.96
IUPAC Name6-bromo-1H-indole-4,7-diol
SMILESOc1cc(Br)c(O)c2[nH]ccc12
InChIInChI=1S/C8H6BrNO2/c9-5-3-6(11)4-1-2-10-7(4)8(5)12/h1-3,10-12H
InChIKeyQLTYFQFIBAIEHN-UHFFFAOYSA-N
XLogP2.34
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indole-4,7-diol?
The IUPAC name of 6-bromo-1H-indole-4,7-diol (CID 10513513) is 6-bromo-1H-indole-4,7-diol.
What is the SMILES notation for 6-bromo-1H-indole-4,7-diol?
The canonical SMILES for 6-bromo-1H-indole-4,7-diol is Oc1cc(Br)c(O)c2[nH]ccc12.
What is the InChIKey of 6-bromo-1H-indole-4,7-diol?
The InChIKey is QLTYFQFIBAIEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2/c9-5-3-6(11)4-1-2-10-7(4)8(5)12/h1-3,10-12H.
What are the key properties of 6-bromo-1H-indole-4,7-diol?
6-bromo-1H-indole-4,7-diol has a molecular weight of 228.04 g/mol, XLogP of 2.34, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indole-4,7-diol is sourced from PubChem (CID 10513513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).