7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine

C9H9BrN2O2S — CID 117256499

IUPAC7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)Cc1cnc2cc(Br)ccn12
InChIInChI=1S/C9H9BrN2O2S/c1-15(13,14)6-8-5-11-9-4-7(10)2-3-12(8)9/h2-5H,6H2,1H3
InChIKeyZKWJDGRWANDZRA-UHFFFAOYSA-N
MW289.15 g/mol
LogP1.64
Rot. Bonds2

About 7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine

7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117256499) has the molecular formula C9H9BrN2O2S and a molecular weight of 289.15 g/mol. Its IUPAC name is 7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine
PubChem CID117256499
Molecular FormulaC9H9BrN2O2S
Molecular Weight289.15 g/mol
Exact Mass287.96
IUPAC Name7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)Cc1cnc2cc(Br)ccn12
InChIInChI=1S/C9H9BrN2O2S/c1-15(13,14)6-8-5-11-9-4-7(10)2-3-12(8)9/h2-5H,6H2,1H3
InChIKeyZKWJDGRWANDZRA-UHFFFAOYSA-N
XLogP1.64
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine (CID 117256499) is 7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine is CS(=O)(=O)Cc1cnc2cc(Br)ccn12.
What is the InChIKey of 7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is ZKWJDGRWANDZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2S/c1-15(13,14)6-8-5-11-9-4-7(10)2-3-12(8)9/h2-5H,6H2,1H3.
What are the key properties of 7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine?
7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 289.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(methylsulfonylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117256499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).