5-bromo-7-chloro-1H-indole-2,3-dione

C8H3BrClNO2 — CID 4659218

IUPAC5-bromo-7-chloro-1H-indole-2,3-dione
SMILESO=C1Nc2c(Cl)cc(Br)cc2C1=O
InChIInChI=1S/C8H3BrClNO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKeyUTTYWJPFQPXSJI-UHFFFAOYSA-N
MW260.47 g/mol
LogP2.24
Rot. Bonds

About 5-bromo-7-chloro-1H-indole-2,3-dione

5-bromo-7-chloro-1H-indole-2,3-dione (PubChem CID 4659218) has the molecular formula C8H3BrClNO2 and a molecular weight of 260.47 g/mol. Its IUPAC name is 5-bromo-7-chloro-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-7-chloro-1H-indole-2,3-dione
PubChem CID4659218
Molecular FormulaC8H3BrClNO2
Molecular Weight260.47 g/mol
Exact Mass258.90
IUPAC Name5-bromo-7-chloro-1H-indole-2,3-dione
SMILESO=C1Nc2c(Cl)cc(Br)cc2C1=O
InChIInChI=1S/C8H3BrClNO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKeyUTTYWJPFQPXSJI-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1H-indole-2,3-dione
CID 139078100
5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 16793230
6,7-dichloro-1H-indole-2,3-dione
CID 16786802
3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one
CID 135559525
5-bromo-1H-indole-2,3-dione;methane
CID 175094676
5-tert-butyl-7-methyl-1H-indole-2,3-dione
CID 126751052
4-chloro-6,7-difluoro-1H-indole-2,3-dione
CID 164645941
5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one
CID 135559702
5,7-dibromo-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
CID 57229658
4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride
CID 50998066
(3Z)-5-bromo-3-[(2-chlorophenyl)methylidene]-1H-indol-2-one
CID 46504697
7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
CID 16787437

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-7-chloro-1H-indole-2,3-dione (CID 4659218) is 5-bromo-7-chloro-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-7-chloro-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-7-chloro-1H-indole-2,3-dione is O=C1Nc2c(Cl)cc(Br)cc2C1=O.
What is the InChIKey of 5-bromo-7-chloro-1H-indole-2,3-dione?
The InChIKey is UTTYWJPFQPXSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClNO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13).
What are the key properties of 5-bromo-7-chloro-1H-indole-2,3-dione?
5-bromo-7-chloro-1H-indole-2,3-dione has a molecular weight of 260.47 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-1H-indole-2,3-dione is sourced from PubChem (CID 4659218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).