6-bromoimidazo[1,2-a]pyridine-3-sulfinate

C7H4BrN2O2S- — CID 121342948

IUPAC6-bromoimidazo[1,2-a]pyridine-3-sulfinate
SMILESO=S([O-])c1cnc2ccc(Br)cn12
InChIInChI=1S/C7H5BrN2O2S/c8-5-1-2-6-9-3-7(13(11)12)10(6)4-5/h1-4H,(H,11,12)/p-1
InChIKeyAVECKMGGTHDUPJ-UHFFFAOYSA-M
MW260.09 g/mol
LogP1.33
Rot. Bonds1

About 6-bromoimidazo[1,2-a]pyridine-3-sulfinate

6-bromoimidazo[1,2-a]pyridine-3-sulfinate (PubChem CID 121342948) has the molecular formula C7H4BrN2O2S- and a molecular weight of 260.09 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyridine-3-sulfinate.

Molecular Properties

Compound Name6-bromoimidazo[1,2-a]pyridine-3-sulfinate
PubChem CID121342948
Molecular FormulaC7H4BrN2O2S-
Molecular Weight260.09 g/mol
Exact Mass258.92
IUPAC Name6-bromoimidazo[1,2-a]pyridine-3-sulfinate
SMILESO=S([O-])c1cnc2ccc(Br)cn12
InChIInChI=1S/C7H5BrN2O2S/c8-5-1-2-6-9-3-7(13(11)12)10(6)4-5/h1-4H,(H,11,12)/p-1
InChIKeyAVECKMGGTHDUPJ-UHFFFAOYSA-M
XLogP1.33
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-sulfinate?
The IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-sulfinate (CID 121342948) is 6-bromoimidazo[1,2-a]pyridine-3-sulfinate.
What is the SMILES notation for 6-bromoimidazo[1,2-a]pyridine-3-sulfinate?
The canonical SMILES for 6-bromoimidazo[1,2-a]pyridine-3-sulfinate is O=S([O-])c1cnc2ccc(Br)cn12.
What is the InChIKey of 6-bromoimidazo[1,2-a]pyridine-3-sulfinate?
The InChIKey is AVECKMGGTHDUPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5BrN2O2S/c8-5-1-2-6-9-3-7(13(11)12)10(6)4-5/h1-4H,(H,11,12)/p-1.
What are the key properties of 6-bromoimidazo[1,2-a]pyridine-3-sulfinate?
6-bromoimidazo[1,2-a]pyridine-3-sulfinate has a molecular weight of 260.09 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[1,2-a]pyridine-3-sulfinate is sourced from PubChem (CID 121342948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).