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

C9H9F3N2O2 — CID 83841311

IUPAC3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2cnc(C(F)(F)F)n21
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8-13-4-5-2-1-3-6(7(15)16)14(5)8/h4,6H,1-3H2,(H,15,16)
InChIKeyCOIIOZIGGQPQEG-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.86
Rot. Bonds1

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

3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 83841311) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID83841311
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2cnc(C(F)(F)F)n21
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8-13-4-5-2-1-3-6(7(15)16)14(5)8/h4,6H,1-3H2,(H,15,16)
InChIKeyCOIIOZIGGQPQEG-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5H,6H,7H,8H-imidazo(1,5-a)pyridine-3-carboxylic acid
CID 82597049
6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-A]pyridine-3-carboxylic acid
CID 124178332
6-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
CID 124179234
6-(2,2-Difluoro-2-iodoethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
CID 124184602
6-(2,2-Difluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
CID 132183245
Potassium;6-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylate
CID 140764664
Ethyl 3-[3-(3,3-difluorocyclobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]propanoate
CID 162684850
6-(1,2,2-Trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
CID 175470384
3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyridine-7-carboxylic acid hydrochloride
CID 71757719
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 71757720
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83678794
3-[6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 84103177

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (CID 83841311) is 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is O=C(O)C1CCCc2cnc(C(F)(F)F)n21.
What is the InChIKey of 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is COIIOZIGGQPQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)8-13-4-5-2-1-3-6(7(15)16)14(5)8/h4,6H,1-3H2,(H,15,16).
What are the key properties of 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 83841311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).