5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one

C8H5BrFNO2 — CID 61359887

IUPAC5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)c(Br)cc2C1O
InChIInChI=1S/C8H5BrFNO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2,7,12H,(H,11,13)
InChIKeyFDNJGHYYPPSMFE-UHFFFAOYSA-N
MW246.03 g/mol
LogP1.57
Rot. Bonds

About 5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one

5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 61359887) has the molecular formula C8H5BrFNO2 and a molecular weight of 246.03 g/mol. Its IUPAC name is 5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID61359887
Molecular FormulaC8H5BrFNO2
Molecular Weight246.03 g/mol
Exact Mass244.95
IUPAC Name5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)c(Br)cc2C1O
InChIInChI=1S/C8H5BrFNO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2,7,12H,(H,11,13)
InChIKeyFDNJGHYYPPSMFE-UHFFFAOYSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.03
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 61359887) is 5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(F)c(Br)cc2C1O.
What is the InChIKey of 5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is FDNJGHYYPPSMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2,7,12H,(H,11,13).
What are the key properties of 5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 246.03 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 61359887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).