6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione

C13H8N2O2S — CID 43586494

IUPAC6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ccccn3)ccc2C1=O
InChIInChI=1S/C13H8N2O2S/c16-12-9-5-4-8(7-10(9)15-13(12)17)18-11-3-1-2-6-14-11/h1-7H,(H,15,16,17)
InChIKeyJQQVQAFHAZGRSV-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.37
Rot. Bonds2

About 6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione

6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione (PubChem CID 43586494) has the molecular formula C13H8N2O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione
PubChem CID43586494
Molecular FormulaC13H8N2O2S
Molecular Weight256.29 g/mol
Exact Mass256.03
IUPAC Name6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ccccn3)ccc2C1=O
InChIInChI=1S/C13H8N2O2S/c16-12-9-5-4-8(7-10(9)15-13(12)17)18-11-3-1-2-6-14-11/h1-7H,(H,15,16,17)
InChIKeyJQQVQAFHAZGRSV-UHFFFAOYSA-N
XLogP2.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione?
The IUPAC name of 6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione (CID 43586494) is 6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione is O=C1Nc2cc(Sc3ccccn3)ccc2C1=O.
What is the InChIKey of 6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione?
The InChIKey is JQQVQAFHAZGRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S/c16-12-9-5-4-8(7-10(9)15-13(12)17)18-11-3-1-2-6-14-11/h1-7H,(H,15,16,17).
What are the key properties of 6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione?
6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione has a molecular weight of 256.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-ylsulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 43586494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).