oxathiino[6,5-b]pyridine 2,2-dioxide

C7H5NO3S — CID 162032669

IUPACoxathiino[6,5-b]pyridine 2,2-dioxide
SMILESO=S1(=O)C=Cc2cccnc2O1
InChIInChI=1S/C7H5NO3S/c9-12(10)5-3-6-2-1-4-8-7(6)11-12/h1-5H
InChIKeyYWFTXZLJLGZWAD-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.77
Rot. Bonds

About oxathiino[6,5-b]pyridine 2,2-dioxide

oxathiino[6,5-b]pyridine 2,2-dioxide (PubChem CID 162032669) has the molecular formula C7H5NO3S and a molecular weight of 183.19 g/mol. Its IUPAC name is oxathiino[6,5-b]pyridine 2,2-dioxide.

Molecular Properties

Compound Nameoxathiino[6,5-b]pyridine 2,2-dioxide
PubChem CID162032669
Molecular FormulaC7H5NO3S
Molecular Weight183.19 g/mol
Exact Mass183.00
IUPAC Nameoxathiino[6,5-b]pyridine 2,2-dioxide
SMILESO=S1(=O)C=Cc2cccnc2O1
InChIInChI=1S/C7H5NO3S/c9-12(10)5-3-6-2-1-4-8-7(6)11-12/h1-5H
InChIKeyYWFTXZLJLGZWAD-UHFFFAOYSA-N
XLogP0.77
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze oxathiino[6,5-b]pyridine 2,2-dioxide 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 oxathiino[6,5-b]pyridine 2,2-dioxide?
The IUPAC name of oxathiino[6,5-b]pyridine 2,2-dioxide (CID 162032669) is oxathiino[6,5-b]pyridine 2,2-dioxide.
What is the SMILES notation for oxathiino[6,5-b]pyridine 2,2-dioxide?
The canonical SMILES for oxathiino[6,5-b]pyridine 2,2-dioxide is O=S1(=O)C=Cc2cccnc2O1.
What is the InChIKey of oxathiino[6,5-b]pyridine 2,2-dioxide?
The InChIKey is YWFTXZLJLGZWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S/c9-12(10)5-3-6-2-1-4-8-7(6)11-12/h1-5H.
What are the key properties of oxathiino[6,5-b]pyridine 2,2-dioxide?
oxathiino[6,5-b]pyridine 2,2-dioxide has a molecular weight of 183.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxathiino[6,5-b]pyridine 2,2-dioxide is sourced from PubChem (CID 162032669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).