2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one

C13H9NO2S — CID 59865597

IUPAC2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one
SMILESO=c1c2ccccc2sc2nc(CO)ccc12
InChIInChI=1S/C13H9NO2S/c15-7-8-5-6-10-12(16)9-3-1-2-4-11(9)17-13(10)14-8/h1-6,15H,7H2
InChIKeyDXLRCJTYFCKOGG-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.30
Rot. Bonds1

About 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one

2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one (PubChem CID 59865597) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one
PubChem CID59865597
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one
SMILESO=c1c2ccccc2sc2nc(CO)ccc12
InChIInChI=1S/C13H9NO2S/c15-7-8-5-6-10-12(16)9-3-1-2-4-11(9)17-13(10)14-8/h1-6,15H,7H2
InChIKeyDXLRCJTYFCKOGG-UHFFFAOYSA-N
XLogP2.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-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 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one?
The IUPAC name of 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one (CID 59865597) is 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one is O=c1c2ccccc2sc2nc(CO)ccc12.
What is the InChIKey of 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one?
The InChIKey is DXLRCJTYFCKOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-7-8-5-6-10-12(16)9-3-1-2-4-11(9)17-13(10)14-8/h1-6,15H,7H2.
What are the key properties of 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one?
2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one has a molecular weight of 243.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)thiochromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 59865597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).