oxathiino[3,4-c]pyridine

C7H5NOS — CID 59512235

IUPACoxathiino[3,4-c]pyridine
SMILESC1=Cc2ccncc2SO1
InChIInChI=1S/C7H5NOS/c1-3-8-5-7-6(1)2-4-9-10-7/h1-5H
InChIKeyCIZUYNWZXWGAFI-UHFFFAOYSA-N
MW151.19 g/mol
LogP2.09
Rot. Bonds

About oxathiino[3,4-c]pyridine

oxathiino[3,4-c]pyridine (PubChem CID 59512235) has the molecular formula C7H5NOS and a molecular weight of 151.19 g/mol. Its IUPAC name is oxathiino[3,4-c]pyridine.

Molecular Properties

Compound Nameoxathiino[3,4-c]pyridine
PubChem CID59512235
Molecular FormulaC7H5NOS
Molecular Weight151.19 g/mol
Exact Mass151.01
IUPAC Nameoxathiino[3,4-c]pyridine
SMILESC1=Cc2ccncc2SO1
InChIInChI=1S/C7H5NOS/c1-3-8-5-7-6(1)2-4-9-10-7/h1-5H
InChIKeyCIZUYNWZXWGAFI-UHFFFAOYSA-N
XLogP2.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxathiino[3,4-c]pyridine?
The IUPAC name of oxathiino[3,4-c]pyridine (CID 59512235) is oxathiino[3,4-c]pyridine.
What is the SMILES notation for oxathiino[3,4-c]pyridine?
The canonical SMILES for oxathiino[3,4-c]pyridine is C1=Cc2ccncc2SO1.
What is the InChIKey of oxathiino[3,4-c]pyridine?
The InChIKey is CIZUYNWZXWGAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS/c1-3-8-5-7-6(1)2-4-9-10-7/h1-5H.
What are the key properties of oxathiino[3,4-c]pyridine?
oxathiino[3,4-c]pyridine has a molecular weight of 151.19 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxathiino[3,4-c]pyridine is sourced from PubChem (CID 59512235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).