1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone

C16H15F3N2O2 — CID 22012081

IUPAC1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone
SMILESCC(=O)c1c(C(F)(F)F)c(-c2cccnc2)n2c1C(O)CCC2
InChIInChI=1S/C16H15F3N2O2/c1-9(22)12-13(16(17,18)19)14(10-4-2-6-20-8-10)21-7-3-5-11(23)15(12)21/h2,4,6,8,11,23H,3,5,7H2,1H3
InChIKeyNKWHIYMSINQSGG-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.60
Rot. Bonds2

About 1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone

1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone (PubChem CID 22012081) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone.

Molecular Properties

Compound Name1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone
PubChem CID22012081
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone
SMILESCC(=O)c1c(C(F)(F)F)c(-c2cccnc2)n2c1C(O)CCC2
InChIInChI=1S/C16H15F3N2O2/c1-9(22)12-13(16(17,18)19)14(10-4-2-6-20-8-10)21-7-3-5-11(23)15(12)21/h2,4,6,8,11,23H,3,5,7H2,1H3
InChIKeyNKWHIYMSINQSGG-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone?
The IUPAC name of 1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone (CID 22012081) is 1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone.
What is the SMILES notation for 1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone?
The canonical SMILES for 1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone is CC(=O)c1c(C(F)(F)F)c(-c2cccnc2)n2c1C(O)CCC2.
What is the InChIKey of 1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone?
The InChIKey is NKWHIYMSINQSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-9(22)12-13(16(17,18)19)14(10-4-2-6-20-8-10)21-7-3-5-11(23)15(12)21/h2,4,6,8,11,23H,3,5,7H2,1H3.
What are the key properties of 1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone?
1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone has a molecular weight of 324.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-hydroxy-3-pyridin-3-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-1-yl]ethanone is sourced from PubChem (CID 22012081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).