6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid

C7H5BrN2O2S — CID 121342949

IUPAC6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid
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)
InChIKeyAVECKMGGTHDUPJ-UHFFFAOYSA-N
MW261.10 g/mol
LogP1.68
Rot. Bonds1

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

6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid (PubChem CID 121342949) has the molecular formula C7H5BrN2O2S and a molecular weight of 261.10 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid.

Molecular Properties

Compound Name6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid
PubChem CID121342949
Molecular FormulaC7H5BrN2O2S
Molecular Weight261.10 g/mol
Exact Mass259.93
IUPAC Name6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid
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)
InChIKeyAVECKMGGTHDUPJ-UHFFFAOYSA-N
XLogP1.68
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid 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 6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid?
The IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid (CID 121342949) is 6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid.
What is the SMILES notation for 6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid?
The canonical SMILES for 6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid is O=S(O)c1cnc2ccc(Br)cn12.
What is the InChIKey of 6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid?
The InChIKey is AVECKMGGTHDUPJ-UHFFFAOYSA-N. 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).
What are the key properties of 6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid?
6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid has a molecular weight of 261.10 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[1,2-a]pyridine-3-sulfinic acid is sourced from PubChem (CID 121342949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).