5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one

C14H9BrFNO2 — CID 5297654

IUPAC5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1(O)c1ccc(F)cc1
InChIInChI=1S/C14H9BrFNO2/c15-9-3-6-12-11(7-9)14(19,13(18)17-12)8-1-4-10(16)5-2-8/h1-7,19H,(H,17,18)
InChIKeyXMUUKICISYQMLI-UHFFFAOYSA-N
MW322.13 g/mol
LogP2.78
Rot. Bonds1

About 5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one

5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one (PubChem CID 5297654) has the molecular formula C14H9BrFNO2 and a molecular weight of 322.13 g/mol. Its IUPAC name is 5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one
PubChem CID5297654
Molecular FormulaC14H9BrFNO2
Molecular Weight322.13 g/mol
Exact Mass320.98
IUPAC Name5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1(O)c1ccc(F)cc1
InChIInChI=1S/C14H9BrFNO2/c15-9-3-6-12-11(7-9)14(19,13(18)17-12)8-1-4-10(16)5-2-8/h1-7,19H,(H,17,18)
InChIKeyXMUUKICISYQMLI-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.13
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-3-methyloxindole
CID 151066
3-Hydroxy-3-phenyl-1,3-dihydroindol-2-one
CID 15806
3-Hydroxy-3-(trifluoromethyl)indolin-2-one
CID 2801696
3-Allyl-3-hydroxy-1,3-dihydro-indol-2-one
CID 646528
5-bromo-3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one
CID 4256987
5-bromo-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 2804937
5-Bromo-1-methyl-3-(trifluoromethyl)-3-hydroxyindoline-2-one
CID 24997208
3-Hydroxy-1-phenyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 3289664
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
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one (CID 5297654) is 5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one is O=C1Nc2ccc(Br)cc2C1(O)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The InChIKey is XMUUKICISYQMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2/c15-9-3-6-12-11(7-9)14(19,13(18)17-12)8-1-4-10(16)5-2-8/h1-7,19H,(H,17,18).
What are the key properties of 5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one?
5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one has a molecular weight of 322.13 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-fluorophenyl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 5297654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).