potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate

C10H10F3KN2O2 — CID 140764664

IUPACpotassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
SMILESO=C([O-])c1ncc2n1CC(CC(F)(F)F)CC2.[K+]
InChIInChI=1S/C10H11F3N2O2.K/c11-10(12,13)3-6-1-2-7-4-14-8(9(16)17)15(7)5-6;/h4,6H,1-3,5H2,(H,16,17);/q;+1/p-1
InChIKeyFDIMZTNJOCLZNN-UHFFFAOYSA-M
MW286.29 g/mol
LogP-2.23
Rot. Bonds2

About potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate

potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 140764664) has the molecular formula C10H10F3KN2O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namepotassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
PubChem CID140764664
Molecular FormulaC10H10F3KN2O2
Molecular Weight286.29 g/mol
Exact Mass286.03
IUPAC Namepotassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
SMILESO=C([O-])c1ncc2n1CC(CC(F)(F)F)CC2.[K+]
InChIInChI=1S/C10H11F3N2O2.K/c11-10(12,13)3-6-1-2-7-4-14-8(9(16)17)15(7)5-6;/h4,6H,1-3,5H2,(H,16,17);/q;+1/p-1
InChIKeyFDIMZTNJOCLZNN-UHFFFAOYSA-M
XLogP-2.23
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-2.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate (CID 140764664) is potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate is O=C([O-])c1ncc2n1CC(CC(F)(F)F)CC2.[K+].
What is the InChIKey of potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
The InChIKey is FDIMZTNJOCLZNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11F3N2O2.K/c11-10(12,13)3-6-1-2-7-4-14-8(9(16)17)15(7)5-6;/h4,6H,1-3,5H2,(H,16,17);/q;+1/p-1.
What are the key properties of potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate has a molecular weight of 286.29 g/mol, XLogP of -2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 140764664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).