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

C13H9BrFN3S — CID 708453

IUPAC6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C13H9BrFN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-1-3-10(15)4-2-8/h1-6H,7H2,(H,16,17,18)
InChIKeyZNNKJRBVULVEPT-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.15
Rot. Bonds3

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

6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 708453) has the molecular formula C13H9BrFN3S and a molecular weight of 338.21 g/mol. Its IUPAC name is 6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
PubChem CID708453
Molecular FormulaC13H9BrFN3S
Molecular Weight338.21 g/mol
Exact Mass336.97
IUPAC Name6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C13H9BrFN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-1-3-10(15)4-2-8/h1-6H,7H2,(H,16,17,18)
InChIKeyZNNKJRBVULVEPT-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (CID 708453) is 6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is Fc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZNNKJRBVULVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-1-3-10(15)4-2-8/h1-6H,7H2,(H,16,17,18).
What are the key properties of 6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 338.21 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 708453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).