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

C10H11F3N2O2 — CID 175470384

IUPAC6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1ncc2n1CC(C(F)C(F)F)CC2
InChIInChI=1S/C10H11F3N2O2/c11-7(8(12)13)5-1-2-6-3-14-9(10(16)17)15(6)4-5/h3,5,7-8H,1-2,4H2,(H,16,17)
InChIKeyWTDWUDCMKOLYFI-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.75
Rot. Bonds3

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

6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 175470384) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID175470384
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1ncc2n1CC(C(F)C(F)F)CC2
InChIInChI=1S/C10H11F3N2O2/c11-7(8(12)13)5-1-2-6-3-14-9(10(16)17)15(6)4-5/h3,5,7-8H,1-2,4H2,(H,16,17)
InChIKeyWTDWUDCMKOLYFI-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid (CID 175470384) is 6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1ncc2n1CC(C(F)C(F)F)CC2.
What is the InChIKey of 6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is WTDWUDCMKOLYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-7(8(12)13)5-1-2-6-3-14-9(10(16)17)15(6)4-5/h3,5,7-8H,1-2,4H2,(H,16,17).
What are the key properties of 6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid?
6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 175470384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).