(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one

C8H6BrNO2 — CID 714172

IUPAC(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2[C@@H]1O
InChIInChI=1S/C8H6BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m0/s1
InChIKeyMLPDUEVGLOZRJI-ZETCQYMHSA-N
MW228.04 g/mol
LogP1.43
Rot. Bonds

About (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one

(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 714172) has the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol. Its IUPAC name is (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID714172
Molecular FormulaC8H6BrNO2
Molecular Weight228.04 g/mol
Exact Mass226.96
IUPAC Name(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2[C@@H]1O
InChIInChI=1S/C8H6BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m0/s1
InChIKeyMLPDUEVGLOZRJI-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one (CID 714172) is (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2[C@@H]1O.
What is the InChIKey of (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is MLPDUEVGLOZRJI-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one?
(3S)-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 (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 714172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).