6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine

C10H10ClN3S — CID 2039561

IUPAC6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine
SMILESC=C(C)CSc1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C10H10ClN3S/c1-6(2)5-15-10-13-8-3-7(11)4-12-9(8)14-10/h3-4H,1,5H2,2H3,(H,12,13,14)
InChIKeyZOIMWWGIQQQDOQ-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.28
Rot. Bonds3

About 6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine

6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 2039561) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine
PubChem CID2039561
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine
SMILESC=C(C)CSc1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C10H10ClN3S/c1-6(2)5-15-10-13-8-3-7(11)4-12-9(8)14-10/h3-4H,1,5H2,2H3,(H,12,13,14)
InChIKeyZOIMWWGIQQQDOQ-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine (CID 2039561) is 6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine is C=C(C)CSc1nc2ncc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZOIMWWGIQQQDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-6(2)5-15-10-13-8-3-7(11)4-12-9(8)14-10/h3-4H,1,5H2,2H3,(H,12,13,14).
What are the key properties of 6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine?
6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 239.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylprop-2-enylsulfanyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 2039561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).