3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine

C9H9F2N3S — CID 66727811

IUPAC3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine
SMILESCSc1nc2cccnc2n1CC(F)F
InChIInChI=1S/C9H9F2N3S/c1-15-9-13-6-3-2-4-12-8(6)14(9)5-7(10)11/h2-4,7H,5H2,1H3
InChIKeyVBILRGPMUGAABZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.42
Rot. Bonds3

About 3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine

3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine (PubChem CID 66727811) has the molecular formula C9H9F2N3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine
PubChem CID66727811
Molecular FormulaC9H9F2N3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine
SMILESCSc1nc2cccnc2n1CC(F)F
InChIInChI=1S/C9H9F2N3S/c1-15-9-13-6-3-2-4-12-8(6)14(9)5-7(10)11/h2-4,7H,5H2,1H3
InChIKeyVBILRGPMUGAABZ-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine (CID 66727811) is 3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine is CSc1nc2cccnc2n1CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine?
The InChIKey is VBILRGPMUGAABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3S/c1-15-9-13-6-3-2-4-12-8(6)14(9)5-7(10)11/h2-4,7H,5H2,1H3.
What are the key properties of 3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine?
3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine has a molecular weight of 229.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-2-methylsulfanylimidazo[4,5-b]pyridine is sourced from PubChem (CID 66727811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).