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

C14H9BrFNO2 — CID 83037208

IUPAC3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1cc(Br)ccc1F
InChIInChI=1S/C14H9BrFNO2/c15-8-5-6-11(16)10(7-8)14(19)9-3-1-2-4-12(9)17-13(14)18/h1-7,19H,(H,17,18)
InChIKeyGSSCSQLOWGNSHE-UHFFFAOYSA-N
MW322.13 g/mol
LogP2.78
Rot. Bonds1

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

3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one (PubChem CID 83037208) has the molecular formula C14H9BrFNO2 and a molecular weight of 322.13 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one
PubChem CID83037208
Molecular FormulaC14H9BrFNO2
Molecular Weight322.13 g/mol
Exact Mass320.98
IUPAC Name3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1cc(Br)ccc1F
InChIInChI=1S/C14H9BrFNO2/c15-8-5-6-11(16)10(7-8)14(19)9-3-1-2-4-12(9)17-13(14)18/h1-7,19H,(H,17,18)
InChIKeyGSSCSQLOWGNSHE-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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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one (CID 83037208) is 3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one is O=C1Nc2ccccc2C1(O)c1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one?
The InChIKey is GSSCSQLOWGNSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2/c15-8-5-6-11(16)10(7-8)14(19)9-3-1-2-4-12(9)17-13(14)18/h1-7,19H,(H,17,18).
What are the key properties of 3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one?
3-(5-bromo-2-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 3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 83037208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).