2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C15H12F3N3O2S — CID 91809237

IUPAC2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C15H12F3N3O2S/c1-2-24(22,23)12-4-3-7-19-14(12)11-9-21-8-10(15(16,17)18)5-6-13(21)20-11/h3-9H,2H2,1H3
InChIKeyVYEXPBKCWNCANZ-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.21
Rot. Bonds3

About 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 91809237) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID91809237
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCS(=O)(=O)c1cccnc1-c1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C15H12F3N3O2S/c1-2-24(22,23)12-4-3-7-19-14(12)11-9-21-8-10(15(16,17)18)5-6-13(21)20-11/h3-9H,2H2,1H3
InChIKeyVYEXPBKCWNCANZ-UHFFFAOYSA-N
XLogP3.21
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 91809237) is 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CCS(=O)(=O)c1cccnc1-c1cn2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is VYEXPBKCWNCANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c1-2-24(22,23)12-4-3-7-19-14(12)11-9-21-8-10(15(16,17)18)5-6-13(21)20-11/h3-9H,2H2,1H3.
What are the key properties of 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 355.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 91809237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).