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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Related Compounds

3-ethylsulfonyl-2-fluoro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163663312
2-[5-(2,2-dichloroethenyl)-1-methylimidazol-2-yl]-3-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 170514772
methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 82356853
3-ethylsulfonyl-2-[5-[(Z)-2,3,3,4,4,4-hexafluorobut-1-enyl]-1-methylimidazol-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 170514762
3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063206
ethyl 6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
CID 165178169
methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 46941700
3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82530344
ethyl 2-[[[6-(2-cyanopropan-2-yl)-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 165178188
[2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060770
ethyl 5-ethylsulfonyl-6-[3-oxo-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]pyridine-3-carboxylate
CID 155685797
2-ethyl-N-[[4-[4-(4-phosphanylphenyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 144782840

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).