ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate

C13H15F3N2O4 — CID 141232212

IUPACethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)C1=CC(C(C)=O)=C2NCCN2C1(O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O4/c1-3-22-11(20)9-6-8(7(2)19)10-17-4-5-18(10)12(9,21)13(14,15)16/h6,17,21H,3-5H2,1-2H3
InChIKeyIJIIYZRGOBYAMU-UHFFFAOYSA-N
MW320.27 g/mol
LogP0.45
Rot. Bonds3

About ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate

ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 141232212) has the molecular formula C13H15F3N2O4 and a molecular weight of 320.27 g/mol. Its IUPAC name is ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID141232212
Molecular FormulaC13H15F3N2O4
Molecular Weight320.27 g/mol
Exact Mass320.10
IUPAC Nameethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)C1=CC(C(C)=O)=C2NCCN2C1(O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O4/c1-3-22-11(20)9-6-8(7(2)19)10-17-4-5-18(10)12(9,21)13(14,15)16/h6,17,21H,3-5H2,1-2H3
InChIKeyIJIIYZRGOBYAMU-UHFFFAOYSA-N
XLogP0.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

ethyl 9-(4-chlorobenzoyl)-6-hydroxy-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylate
CID 141232214
ethyl (2S)-6-methyl-4-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-2-carboxylate
CID 162539850
ethyl 5,5-bis(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate
CID 15134949
ethyl (2S)-4-morpholin-4-yl-6-oxo-2-phenyl-2-(trifluoromethyl)-1,3-dihydropyridine-5-carboxylate
CID 7986968
ethyl 2-[3-(trifluoromethyl)diaziridin-3-yl]benzoate
CID 133061387
diethyl (2R)-2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate
CID 138978054
ethyl 4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzoate;2,2,2-trifluoroacetaldehyde
CID 139466583
ethyl 2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 154663343
ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
CID 71682289
ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate
CID 151697551
diethyl 5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate
CID 102309661
ethyl 5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
CID 4620847

Frequently Asked Questions

What is the IUPAC name of ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate (CID 141232212) is ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)C1=CC(C(C)=O)=C2NCCN2C1(O)C(F)(F)F.
What is the InChIKey of ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is IJIIYZRGOBYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4/c1-3-22-11(20)9-6-8(7(2)19)10-17-4-5-18(10)12(9,21)13(14,15)16/h6,17,21H,3-5H2,1-2H3.
What are the key properties of ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate?
ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 320.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-acetyl-5-hydroxy-5-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 141232212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).