5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one

C17H11BrN2O2 — CID 162082433

IUPAC5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one
SMILESCc1ccc2[nH]c(C3=Nc4ccc(Br)cc4C3=O)c(O)c2c1
InChIInChI=1S/C17H11BrN2O2/c1-8-2-4-12-10(6-8)16(21)14(19-12)15-17(22)11-7-9(18)3-5-13(11)20-15/h2-7,19,21H,1H3
InChIKeyZOMXKIDEWVOGFL-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.26
Rot. Bonds1

About 5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one

5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one (PubChem CID 162082433) has the molecular formula C17H11BrN2O2 and a molecular weight of 355.19 g/mol. Its IUPAC name is 5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one.

Molecular Properties

Compound Name5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one
PubChem CID162082433
Molecular FormulaC17H11BrN2O2
Molecular Weight355.19 g/mol
Exact Mass354.00
IUPAC Name5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one
SMILESCc1ccc2[nH]c(C3=Nc4ccc(Br)cc4C3=O)c(O)c2c1
InChIInChI=1S/C17H11BrN2O2/c1-8-2-4-12-10(6-8)16(21)14(19-12)15-17(22)11-7-9(18)3-5-13(11)20-15/h2-7,19,21H,1H3
InChIKeyZOMXKIDEWVOGFL-UHFFFAOYSA-N
XLogP4.26
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one?
The IUPAC name of 5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one (CID 162082433) is 5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one.
What is the SMILES notation for 5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one?
The canonical SMILES for 5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one is Cc1ccc2[nH]c(C3=Nc4ccc(Br)cc4C3=O)c(O)c2c1.
What is the InChIKey of 5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one?
The InChIKey is ZOMXKIDEWVOGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O2/c1-8-2-4-12-10(6-8)16(21)14(19-12)15-17(22)11-7-9(18)3-5-13(11)20-15/h2-7,19,21H,1H3.
What are the key properties of 5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one?
5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one has a molecular weight of 355.19 g/mol, XLogP of 4.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one is sourced from PubChem (CID 162082433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).