1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione

C14H7Br2NO3 — CID 158205454

IUPAC1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione
SMILESO=C1C(=O)N(c2cc(Br)c(O)c(Br)c2)c2ccccc21
InChIInChI=1S/C14H7Br2NO3/c15-9-5-7(6-10(16)13(9)19)17-11-4-2-1-3-8(11)12(18)14(17)20/h1-6,19H
InChIKeyGBLDMGWFXGNYJT-UHFFFAOYSA-N
MW397.02 g/mol
LogP3.78
Rot. Bonds1

About 1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione

1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione (PubChem CID 158205454) has the molecular formula C14H7Br2NO3 and a molecular weight of 397.02 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione
PubChem CID158205454
Molecular FormulaC14H7Br2NO3
Molecular Weight397.02 g/mol
Exact Mass394.88
IUPAC Name1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione
SMILESO=C1C(=O)N(c2cc(Br)c(O)c(Br)c2)c2ccccc21
InChIInChI=1S/C14H7Br2NO3/c15-9-5-7(6-10(16)13(9)19)17-11-4-2-1-3-8(11)12(18)14(17)20/h1-6,19H
InChIKeyGBLDMGWFXGNYJT-UHFFFAOYSA-N
XLogP3.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.02
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione?
The IUPAC name of 1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione (CID 158205454) is 1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione.
What is the SMILES notation for 1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione?
The canonical SMILES for 1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione is O=C1C(=O)N(c2cc(Br)c(O)c(Br)c2)c2ccccc21.
What is the InChIKey of 1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione?
The InChIKey is GBLDMGWFXGNYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2NO3/c15-9-5-7(6-10(16)13(9)19)17-11-4-2-1-3-8(11)12(18)14(17)20/h1-6,19H.
What are the key properties of 1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione?
1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione has a molecular weight of 397.02 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione is sourced from PubChem (CID 158205454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).