6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

C13H8BrFN2O2S — CID 80758692

IUPAC6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ncccc3Br)c(F)cc2C1O
InChIInChI=1S/C13H8BrFN2O2S/c14-7-2-1-3-16-13(7)20-10-5-9-6(4-8(10)15)11(18)12(19)17-9/h1-5,11,18H,(H,17,19)
InChIKeyQWOVLYIVFHSLPP-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.12
Rot. Bonds2

About 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80758692) has the molecular formula C13H8BrFN2O2S and a molecular weight of 355.19 g/mol. Its IUPAC name is 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80758692
Molecular FormulaC13H8BrFN2O2S
Molecular Weight355.19 g/mol
Exact Mass353.95
IUPAC Name6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ncccc3Br)c(F)cc2C1O
InChIInChI=1S/C13H8BrFN2O2S/c14-7-2-1-3-16-13(7)20-10-5-9-6(4-8(10)15)11(18)12(19)17-9/h1-5,11,18H,(H,17,19)
InChIKeyQWOVLYIVFHSLPP-UHFFFAOYSA-N
XLogP3.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80758692) is 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ncccc3Br)c(F)cc2C1O.
What is the InChIKey of 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is QWOVLYIVFHSLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O2S/c14-7-2-1-3-16-13(7)20-10-5-9-6(4-8(10)15)11(18)12(19)17-9/h1-5,11,18H,(H,17,19).
What are the key properties of 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 355.19 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).