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

C16H8Br2N2O2 — CID 2754955

IUPAC6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3cc(Br)ccc23)=Nc2cc(Br)ccc21
InChIInChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)20-16(22)13(9)14-15(21)10-4-2-8(18)6-12(10)19-14/h1-6,20,22H
InChIKeyRKHYAZOTLCYQKM-UHFFFAOYSA-N
MW420.06 g/mol
LogP4.72
Rot. Bonds1

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

6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one (PubChem CID 2754955) has the molecular formula C16H8Br2N2O2 and a molecular weight of 420.06 g/mol. Its IUPAC name is 6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one.

Molecular Properties

Compound Name6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one
PubChem CID2754955
Molecular FormulaC16H8Br2N2O2
Molecular Weight420.06 g/mol
Exact Mass417.90
IUPAC Name6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESO=C1C(c2c(O)[nH]c3cc(Br)ccc23)=Nc2cc(Br)ccc21
InChIInChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)20-16(22)13(9)14-15(21)10-4-2-8(18)6-12(10)19-14/h1-6,20,22H
InChIKeyRKHYAZOTLCYQKM-UHFFFAOYSA-N
XLogP4.72
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.06
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 135421124
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CID 135421126
CID 135421126
CID 135421127
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CID 135421128
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CID 135421129
CID 135421129
CID 135421130
CID 135421130
CID 135421132
CID 135421132

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one?
The IUPAC name of 6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one (CID 2754955) is 6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one.
What is the SMILES notation for 6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one?
The canonical SMILES for 6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one is O=C1C(c2c(O)[nH]c3cc(Br)ccc23)=Nc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one?
The InChIKey is RKHYAZOTLCYQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)20-16(22)13(9)14-15(21)10-4-2-8(18)6-12(10)19-14/h1-6,20,22H.
What are the key properties of 6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one?
6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one has a molecular weight of 420.06 g/mol, XLogP of 4.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one is sourced from PubChem (CID 2754955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).