2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

C9H9F3N2O2 — CID 166010446

IUPAC2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)C1C(C(F)(F)F)NC2C=CC=CN21
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)7-6(8(15)16)14-4-2-1-3-5(14)13-7/h1-7,13H,(H,15,16)
InChIKeyHDPVMIJIDUSBHV-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.69
Rot. Bonds1

About 2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 166010446) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID166010446
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)C1C(C(F)(F)F)NC2C=CC=CN21
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)7-6(8(15)16)14-4-2-1-3-5(14)13-7/h1-7,13H,(H,15,16)
InChIKeyHDPVMIJIDUSBHV-UHFFFAOYSA-N
XLogP0.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 166010446) is 2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)C1C(C(F)(F)F)NC2C=CC=CN21.
What is the InChIKey of 2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is HDPVMIJIDUSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)7-6(8(15)16)14-4-2-1-3-5(14)13-7/h1-7,13H,(H,15,16).
What are the key properties of 2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 166010446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).