5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine

C8H7Cl2N3O2S — CID 103977323

IUPAC5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)Cc1nc2nc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C8H7Cl2N3O2S/c1-16(14,15)3-6-11-5-2-4(9)7(10)13-8(5)12-6/h2H,3H2,1H3,(H,11,12,13)
InChIKeyFBYGBJQIEIMDOJ-UHFFFAOYSA-N
MW280.14 g/mol
LogP1.81
Rot. Bonds2

About 5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine

5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 103977323) has the molecular formula C8H7Cl2N3O2S and a molecular weight of 280.14 g/mol. Its IUPAC name is 5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID103977323
Molecular FormulaC8H7Cl2N3O2S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)Cc1nc2nc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C8H7Cl2N3O2S/c1-16(14,15)3-6-11-5-2-4(9)7(10)13-8(5)12-6/h2H,3H2,1H3,(H,11,12,13)
InChIKeyFBYGBJQIEIMDOJ-UHFFFAOYSA-N
XLogP1.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine (CID 103977323) is 5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine is CS(=O)(=O)Cc1nc2nc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is FBYGBJQIEIMDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O2S/c1-16(14,15)3-6-11-5-2-4(9)7(10)13-8(5)12-6/h2H,3H2,1H3,(H,11,12,13).
What are the key properties of 5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine?
5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 280.14 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103977323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).