2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one

C17H11BrN2O2 — CID 135421130

IUPAC2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one
SMILESCc1cc2c(C3=Nc4ccccc4C3=O)c(O)[nH]c2cc1Br
InChIInChI=1S/C17H11BrN2O2/c1-8-6-10-13(7-11(8)18)20-17(22)14(10)15-16(21)9-4-2-3-5-12(9)19-15/h2-7,20,22H,1H3
InChIKeyKTNYZVYVXUQVCW-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.26
Rot. Bonds1

About 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one

2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one (PubChem CID 135421130) has the molecular formula C17H11BrN2O2 and a molecular weight of 355.19 g/mol. Its IUPAC name is 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one.

Molecular Properties

Compound Name2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one
PubChem CID135421130
Molecular FormulaC17H11BrN2O2
Molecular Weight355.19 g/mol
Exact Mass354.00
IUPAC Name2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one
SMILESCc1cc2c(C3=Nc4ccccc4C3=O)c(O)[nH]c2cc1Br
InChIInChI=1S/C17H11BrN2O2/c1-8-6-10-13(7-11(8)18)20-17(22)14(10)15-16(21)9-4-2-3-5-12(9)19-15/h2-7,20,22H,1H3
InChIKeyKTNYZVYVXUQVCW-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

Analyze 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one?
The IUPAC name of 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one (CID 135421130) is 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one.
What is the SMILES notation for 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one?
The canonical SMILES for 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one is Cc1cc2c(C3=Nc4ccccc4C3=O)c(O)[nH]c2cc1Br.
What is the InChIKey of 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one?
The InChIKey is KTNYZVYVXUQVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O2/c1-8-6-10-13(7-11(8)18)20-17(22)14(10)15-16(21)9-4-2-3-5-12(9)19-15/h2-7,20,22H,1H3.
What are the key properties of 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one?
2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-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 2-(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)indol-3-one is sourced from PubChem (CID 135421130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).