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

C13H10FN3S — CID 778306

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C13H10FN3S/c14-10-5-3-9(4-6-10)8-18-13-16-11-2-1-7-15-12(11)17-13/h1-7H,8H2,(H,15,16,17)
InChIKeyQSDVDDQEZWKGBA-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.39
Rot. Bonds3

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

2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 778306) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
PubChem CID778306
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C13H10FN3S/c14-10-5-3-9(4-6-10)8-18-13-16-11-2-1-7-15-12(11)17-13/h1-7H,8H2,(H,15,16,17)
InChIKeyQSDVDDQEZWKGBA-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (CID 778306) is 2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is Fc1ccc(CSc2nc3ncccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is QSDVDDQEZWKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-10-5-3-9(4-6-10)8-18-13-16-11-2-1-7-15-12(11)17-13/h1-7H,8H2,(H,15,16,17).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 259.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 778306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).