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

C16H10BrN3O2 — CID 139562410

IUPAC4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESNc1cccc2c1C(=O)C(c1c(O)[nH]c3cc(Br)ccc13)=N2
InChIInChI=1S/C16H10BrN3O2/c17-7-4-5-8-11(6-7)20-16(22)12(8)14-15(21)13-9(18)2-1-3-10(13)19-14/h1-6,20,22H,18H2
InChIKeyGEJSYAUAEKOUIL-UHFFFAOYSA-N
MW356.18 g/mol
LogP3.54
Rot. Bonds1

About 4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one

4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one (PubChem CID 139562410) has the molecular formula C16H10BrN3O2 and a molecular weight of 356.18 g/mol. Its IUPAC name is 4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one.

Molecular Properties

Compound Name4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one
PubChem CID139562410
Molecular FormulaC16H10BrN3O2
Molecular Weight356.18 g/mol
Exact Mass355.00
IUPAC Name4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one
SMILESNc1cccc2c1C(=O)C(c1c(O)[nH]c3cc(Br)ccc13)=N2
InChIInChI=1S/C16H10BrN3O2/c17-7-4-5-8-11(6-7)20-16(22)12(8)14-15(21)13-9(18)2-1-3-10(13)19-14/h1-6,20,22H,18H2
InChIKeyGEJSYAUAEKOUIL-UHFFFAOYSA-N
XLogP3.54
TPSA91.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one?
The IUPAC name of 4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one (CID 139562410) is 4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one.
What is the SMILES notation for 4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one?
The canonical SMILES for 4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one is Nc1cccc2c1C(=O)C(c1c(O)[nH]c3cc(Br)ccc13)=N2.
What is the InChIKey of 4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one?
The InChIKey is GEJSYAUAEKOUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2/c17-7-4-5-8-11(6-7)20-16(22)12(8)14-15(21)13-9(18)2-1-3-10(13)19-14/h1-6,20,22H,18H2.
What are the key properties of 4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one?
4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one has a molecular weight of 356.18 g/mol, XLogP of 3.54, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one is sourced from PubChem (CID 139562410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).