6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one

C16H9BrN2O2 — CID 135421123

IUPAC6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3ccccc23)=Nc2cc(Br)ccc21
InChIInChI=1S/C16H9BrN2O2/c17-8-5-6-10-12(7-8)18-14(15(10)20)13-9-3-1-2-4-11(9)19-16(13)21/h1-7,19,21H
InChIKeyRISJOEPLMQEJDE-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.95
Rot. Bonds1

About 6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one

6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one (PubChem CID 135421123) has the molecular formula C16H9BrN2O2 and a molecular weight of 341.16 g/mol. Its IUPAC name is 6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one.

Molecular Properties

Compound Name6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one
PubChem CID135421123
Molecular FormulaC16H9BrN2O2
Molecular Weight341.16 g/mol
Exact Mass339.98
IUPAC Name6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3ccccc23)=Nc2cc(Br)ccc21
InChIInChI=1S/C16H9BrN2O2/c17-8-5-6-10-12(7-8)18-14(15(10)20)13-9-3-1-2-4-11(9)19-16(13)21/h1-7,19,21H
InChIKeyRISJOEPLMQEJDE-UHFFFAOYSA-N
XLogP3.95
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one?
The IUPAC name of 6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one (CID 135421123) is 6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one.
What is the SMILES notation for 6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one?
The canonical SMILES for 6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one is O=C1C(c2c(O)[nH]c3ccccc23)=Nc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one?
The InChIKey is RISJOEPLMQEJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O2/c17-8-5-6-10-12(7-8)18-14(15(10)20)13-9-3-1-2-4-11(9)19-16(13)21/h1-7,19,21H.
What are the key properties of 6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one?
6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one has a molecular weight of 341.16 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-hydroxy-1H-indol-3-yl)indol-3-one is sourced from PubChem (CID 135421123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).