5-bromo-3-hydroxy-1,3-dihydroindol-2-one

C8H6BrNO2 — CID 2804937

IUPAC5-bromo-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1O
InChIInChI=1S/C8H6BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)
InChIKeyMLPDUEVGLOZRJI-UHFFFAOYSA-N
MW228.04 g/mol
LogP1.43
Rot. Bonds

About 5-bromo-3-hydroxy-1,3-dihydroindol-2-one

5-bromo-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 2804937) has the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID2804937
Molecular FormulaC8H6BrNO2
Molecular Weight228.04 g/mol
Exact Mass226.96
IUPAC Name5-bromo-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1O
InChIInChI=1S/C8H6BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)
InChIKeyMLPDUEVGLOZRJI-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-3-methyloxindole
CID 151066
Dioxindole
CID 6097
3-Allyl-3-hydroxy-1,3-dihydro-indol-2-one
CID 646528
5-Bromo-3-hydroxy-3-phenylindolin-2-one
CID 4256987
5-bromo-3-(4-fluorophenyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 5297654
5-Bromo-1-methyl-3-(trifluoromethyl)-3-hydroxyindoline-2-one
CID 24997208
Indol-2-one, 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1,3-dihydro-
CID 6420242
5-Bromo-1,3-dihydro-3-hydroxy-3-(2-oxopropyl)-2H-indol-2-one
CID 53471
5-fluoro-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 2741177
dimethyl (5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)phosphonate
CID 2881930
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-one
CID 2895217
diisopropyl (5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)phosphonate
CID 2897685

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-1,3-dihydroindol-2-one (CID 2804937) is 5-bromo-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1O.
What is the InChIKey of 5-bromo-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is MLPDUEVGLOZRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12).
What are the key properties of 5-bromo-3-hydroxy-1,3-dihydroindol-2-one?
5-bromo-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 228.04 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 2804937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).