3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one

C13H10N2O2S — CID 63813990

IUPAC3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccccn3)ccc2C1O
InChIInChI=1S/C13H10N2O2S/c16-12-9-5-4-8(7-10(9)15-13(12)17)18-11-3-1-2-6-14-11/h1-7,12,16H,(H,15,17)
InChIKeyXWIRKXPRZBWHBJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.22
Rot. Bonds2

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

3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 63813990) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one
PubChem CID63813990
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccccn3)ccc2C1O
InChIInChI=1S/C13H10N2O2S/c16-12-9-5-4-8(7-10(9)15-13(12)17)18-11-3-1-2-6-14-11/h1-7,12,16H,(H,15,17)
InChIKeyXWIRKXPRZBWHBJ-UHFFFAOYSA-N
XLogP2.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one (CID 63813990) is 3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ccccn3)ccc2C1O.
What is the InChIKey of 3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is XWIRKXPRZBWHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-12-9-5-4-8(7-10(9)15-13(12)17)18-11-3-1-2-6-14-11/h1-7,12,16H,(H,15,17).
What are the key properties of 3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one?
3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 258.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 63813990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).