6-bromo-1-hydroxy-3H-indol-2-one

C8H6BrNO2 — CID 70160286

IUPAC6-bromo-1-hydroxy-3H-indol-2-one
SMILESO=C1Cc2ccc(Br)cc2N1O
InChIInChI=1S/C8H6BrNO2/c9-6-2-1-5-3-8(11)10(12)7(5)4-6/h1-2,4,12H,3H2
InChIKeyCFOKFEJSDDTUMY-UHFFFAOYSA-N
MW228.04 g/mol
LogP1.73
Rot. Bonds

About 6-bromo-1-hydroxy-3H-indol-2-one

6-bromo-1-hydroxy-3H-indol-2-one (PubChem CID 70160286) has the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol. Its IUPAC name is 6-bromo-1-hydroxy-3H-indol-2-one.

Molecular Properties

Compound Name6-bromo-1-hydroxy-3H-indol-2-one
PubChem CID70160286
Molecular FormulaC8H6BrNO2
Molecular Weight228.04 g/mol
Exact Mass226.96
IUPAC Name6-bromo-1-hydroxy-3H-indol-2-one
SMILESO=C1Cc2ccc(Br)cc2N1O
InChIInChI=1S/C8H6BrNO2/c9-6-2-1-5-3-8(11)10(12)7(5)4-6/h1-2,4,12H,3H2
InChIKeyCFOKFEJSDDTUMY-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-hydroxy-3H-indol-2-one?
The IUPAC name of 6-bromo-1-hydroxy-3H-indol-2-one (CID 70160286) is 6-bromo-1-hydroxy-3H-indol-2-one.
What is the SMILES notation for 6-bromo-1-hydroxy-3H-indol-2-one?
The canonical SMILES for 6-bromo-1-hydroxy-3H-indol-2-one is O=C1Cc2ccc(Br)cc2N1O.
What is the InChIKey of 6-bromo-1-hydroxy-3H-indol-2-one?
The InChIKey is CFOKFEJSDDTUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2/c9-6-2-1-5-3-8(11)10(12)7(5)4-6/h1-2,4,12H,3H2.
What are the key properties of 6-bromo-1-hydroxy-3H-indol-2-one?
6-bromo-1-hydroxy-3H-indol-2-one has a molecular weight of 228.04 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-hydroxy-3H-indol-2-one is sourced from PubChem (CID 70160286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).