2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid

C12H11F3N2O4S — CID 170659360

IUPAC2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCCS(=O)(=O)c1c(CC(=O)O)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C12H11F3N2O4S/c1-2-22(20,21)11-8(5-10(18)19)16-9-4-3-7(6-17(9)11)12(13,14)15/h3-4,6H,2,5H2,1H3,(H,18,19)
InChIKeyZYFIDECYUMCCQQ-UHFFFAOYSA-N
MW336.29 g/mol
LogP1.77
Rot. Bonds4

About 2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid

2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 170659360) has the molecular formula C12H11F3N2O4S and a molecular weight of 336.29 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID170659360
Molecular FormulaC12H11F3N2O4S
Molecular Weight336.29 g/mol
Exact Mass336.04
IUPAC Name2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCCS(=O)(=O)c1c(CC(=O)O)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C12H11F3N2O4S/c1-2-22(20,21)11-8(5-10(18)19)16-9-4-3-7(6-17(9)11)12(13,14)15/h3-4,6H,2,5H2,1H3,(H,18,19)
InChIKeyZYFIDECYUMCCQQ-UHFFFAOYSA-N
XLogP1.77
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid (CID 170659360) is 2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid is CCS(=O)(=O)c1c(CC(=O)O)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is ZYFIDECYUMCCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O4S/c1-2-22(20,21)11-8(5-10(18)19)16-9-4-3-7(6-17(9)11)12(13,14)15/h3-4,6H,2,5H2,1H3,(H,18,19).
What are the key properties of 2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 336.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 170659360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).