2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide

C8H9BrN2O2S — CID 130752392

IUPAC2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccnc(Br)c1
InChIInChI=1S/C8H9BrN2O2S/c9-8-6-7(2-3-10-8)11-4-1-5-14(11,12)13/h2-3,6H,1,4-5H2
InChIKeyJPEKBAWDBIMKRY-UHFFFAOYSA-N
MW277.14 g/mol
LogP1.38
Rot. Bonds1

About 2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide

2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 130752392) has the molecular formula C8H9BrN2O2S and a molecular weight of 277.14 g/mol. Its IUPAC name is 2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID130752392
Molecular FormulaC8H9BrN2O2S
Molecular Weight277.14 g/mol
Exact Mass275.96
IUPAC Name2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccnc(Br)c1
InChIInChI=1S/C8H9BrN2O2S/c9-8-6-7(2-3-10-8)11-4-1-5-14(11,12)13/h2-3,6H,1,4-5H2
InChIKeyJPEKBAWDBIMKRY-UHFFFAOYSA-N
XLogP1.38
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide (CID 130752392) is 2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1c1ccnc(Br)c1.
What is the InChIKey of 2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is JPEKBAWDBIMKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2S/c9-8-6-7(2-3-10-8)11-4-1-5-14(11,12)13/h2-3,6H,1,4-5H2.
What are the key properties of 2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide?
2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 277.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-pyridinyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 130752392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).