6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine

C11H12BrN3S — CID 81452726

IUPAC6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCC1(c2nc3ncc(Br)cc3[nH]2)CCCS1
InChIInChI=1S/C11H12BrN3S/c1-11(3-2-4-16-11)10-14-8-5-7(12)6-13-9(8)15-10/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyMZBISJRNAZQHOP-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.46
Rot. Bonds1

About 6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 81452726) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID81452726
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCC1(c2nc3ncc(Br)cc3[nH]2)CCCS1
InChIInChI=1S/C11H12BrN3S/c1-11(3-2-4-16-11)10-14-8-5-7(12)6-13-9(8)15-10/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyMZBISJRNAZQHOP-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine (CID 81452726) is 6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine is CC1(c2nc3ncc(Br)cc3[nH]2)CCCS1.
What is the InChIKey of 6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is MZBISJRNAZQHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-11(3-2-4-16-11)10-14-8-5-7(12)6-13-9(8)15-10/h5-6H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 298.21 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methylthiolan-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81452726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).