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

C12H15F3N2O2 — CID 140764626

IUPACethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2n1CC(CC(F)(F)F)CC2
InChIInChI=1S/C12H15F3N2O2/c1-2-19-11(18)10-16-6-9-4-3-8(7-17(9)10)5-12(13,14)15/h6,8H,2-5,7H2,1H3
InChIKeyUFWKWYFWKVHAJN-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.57
Rot. Bonds3

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

ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 140764626) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
PubChem CID140764626
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Nameethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2n1CC(CC(F)(F)F)CC2
InChIInChI=1S/C12H15F3N2O2/c1-2-19-11(18)10-16-6-9-4-3-8(7-17(9)10)5-12(13,14)15/h6,8H,2-5,7H2,1H3
InChIKeyUFWKWYFWKVHAJN-UHFFFAOYSA-N
XLogP2.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate (CID 140764626) is ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1ncc2n1CC(CC(F)(F)F)CC2.
What is the InChIKey of ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UFWKWYFWKVHAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-19-11(18)10-16-6-9-4-3-8(7-17(9)10)5-12(13,14)15/h6,8H,2-5,7H2,1H3.
What are the key properties of ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate?
ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate has a molecular weight of 276.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 140764626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).