3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one

C14H9BrFNO3 — CID 5304781

IUPAC3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1(O)c1cc(Br)ccc1O
InChIInChI=1S/C14H9BrFNO3/c15-7-1-4-12(18)10(5-7)14(20)9-6-8(16)2-3-11(9)17-13(14)19/h1-6,18,20H,(H,17,19)
InChIKeyNHHARPADRKBDEH-UHFFFAOYSA-N
MW338.13 g/mol
LogP2.48
Rot. Bonds1

About 3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one

3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one (PubChem CID 5304781) has the molecular formula C14H9BrFNO3 and a molecular weight of 338.13 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one
PubChem CID5304781
Molecular FormulaC14H9BrFNO3
Molecular Weight338.13 g/mol
Exact Mass336.97
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1(O)c1cc(Br)ccc1O
InChIInChI=1S/C14H9BrFNO3/c15-7-1-4-12(18)10(5-7)14(20)9-6-8(16)2-3-11(9)17-13(14)19/h1-6,18,20H,(H,17,19)
InChIKeyNHHARPADRKBDEH-UHFFFAOYSA-N
XLogP2.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one (CID 5304781) is 3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one is O=C1Nc2ccc(F)cc2C1(O)c1cc(Br)ccc1O.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one?
The InChIKey is NHHARPADRKBDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO3/c15-7-1-4-12(18)10(5-7)14(20)9-6-8(16)2-3-11(9)17-13(14)19/h1-6,18,20H,(H,17,19).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one?
3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one has a molecular weight of 338.13 g/mol, XLogP of 2.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 5304781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).