6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

C13H9ClFN3S — CID 3747580

IUPAC6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1cccc(CSc2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C13H9ClFN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-2-1-3-10(15)4-8/h1-6H,7H2,(H,16,17,18)
InChIKeyPLWMMZJDYAWWQM-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.04
Rot. Bonds3

About 6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 3747580) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
PubChem CID3747580
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1cccc(CSc2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C13H9ClFN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-2-1-3-10(15)4-8/h1-6H,7H2,(H,16,17,18)
InChIKeyPLWMMZJDYAWWQM-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (CID 3747580) is 6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is Fc1cccc(CSc2nc3ncc(Cl)cc3[nH]2)c1.
What is the InChIKey of 6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is PLWMMZJDYAWWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-2-1-3-10(15)4-8/h1-6H,7H2,(H,16,17,18).
What are the key properties of 6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 293.75 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 3747580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).