5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one

C13H9FN2O2S — CID 80757980

IUPAC5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccncc3)c(F)cc2C1O
InChIInChI=1S/C13H9FN2O2S/c14-9-5-8-10(16-13(18)12(8)17)6-11(9)19-7-1-3-15-4-2-7/h1-6,12,17H,(H,16,18)
InChIKeyXKUDFTGEMRCBCP-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.36
Rot. Bonds2

About 5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 80757980) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one
PubChem CID80757980
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccncc3)c(F)cc2C1O
InChIInChI=1S/C13H9FN2O2S/c14-9-5-8-10(16-13(18)12(8)17)6-11(9)19-7-1-3-15-4-2-7/h1-6,12,17H,(H,16,18)
InChIKeyXKUDFTGEMRCBCP-UHFFFAOYSA-N
XLogP2.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one (CID 80757980) is 5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ccncc3)c(F)cc2C1O.
What is the InChIKey of 5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is XKUDFTGEMRCBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c14-9-5-8-10(16-13(18)12(8)17)6-11(9)19-7-1-3-15-4-2-7/h1-6,12,17H,(H,16,18).
What are the key properties of 5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 276.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-pyridin-4-ylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 80757980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).