3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one

C14H12N2O2S — CID 81308721

IUPAC3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(Sc3ccccn3)cc21
InChIInChI=1S/C14H12N2O2S/c1-16-11-8-9(19-12-4-2-3-7-15-12)5-6-10(11)13(17)14(16)18/h2-8,13,17H,1H3
InChIKeyISMPWHVTZWOHCW-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.24
Rot. Bonds2

About 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one

3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one (PubChem CID 81308721) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one
PubChem CID81308721
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(Sc3ccccn3)cc21
InChIInChI=1S/C14H12N2O2S/c1-16-11-8-9(19-12-4-2-3-7-15-12)5-6-10(11)13(17)14(16)18/h2-8,13,17H,1H3
InChIKeyISMPWHVTZWOHCW-UHFFFAOYSA-N
XLogP2.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-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 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one (CID 81308721) is 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one is CN1C(=O)C(O)c2ccc(Sc3ccccn3)cc21.
What is the InChIKey of 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one?
The InChIKey is ISMPWHVTZWOHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-16-11-8-9(19-12-4-2-3-7-15-12)5-6-10(11)13(17)14(16)18/h2-8,13,17H,1H3.
What are the key properties of 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one?
3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one has a molecular weight of 272.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-pyridin-2-ylsulfanyl-3H-indol-2-one is sourced from PubChem (CID 81308721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).