6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine

C7H6BrN3O2S — CID 71758749

IUPAC6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C7H6BrN3O2S/c1-14(12,13)7-10-5-2-4(8)3-9-6(5)11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyZVOPSNZOZNUXIA-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.12
Rot. Bonds1

About 6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine

6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine (PubChem CID 71758749) has the molecular formula C7H6BrN3O2S and a molecular weight of 276.12 g/mol. Its IUPAC name is 6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine
PubChem CID71758749
Molecular FormulaC7H6BrN3O2S
Molecular Weight276.12 g/mol
Exact Mass274.94
IUPAC Name6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C7H6BrN3O2S/c1-14(12,13)7-10-5-2-4(8)3-9-6(5)11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyZVOPSNZOZNUXIA-UHFFFAOYSA-N
XLogP1.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine
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2-methyl-3H-imidazo[4,5-b]pyridine
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CID 665327
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine (CID 71758749) is 6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine is CS(=O)(=O)c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZVOPSNZOZNUXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O2S/c1-14(12,13)7-10-5-2-4(8)3-9-6(5)11-7/h2-3H,1H3,(H,9,10,11).
What are the key properties of 6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine?
6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 276.12 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 71758749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).