7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid

C12H11F3N2O3 — CID 163409780

IUPAC7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC(C)Oc1cc2nc(C(F)(F)F)cn2cc1C(=O)O
InChIInChI=1S/C12H11F3N2O3/c1-6(2)20-8-3-10-16-9(12(13,14)15)5-17(10)4-7(8)11(18)19/h3-6H,1-2H3,(H,18,19)
InChIKeyHDMDYGLCFZTHNY-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.84
Rot. Bonds3

About 7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid

7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 163409780) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID163409780
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC(C)Oc1cc2nc(C(F)(F)F)cn2cc1C(=O)O
InChIInChI=1S/C12H11F3N2O3/c1-6(2)20-8-3-10-16-9(12(13,14)15)5-17(10)4-7(8)11(18)19/h3-6H,1-2H3,(H,18,19)
InChIKeyHDMDYGLCFZTHNY-UHFFFAOYSA-N
XLogP2.84
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 163409780) is 7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid is CC(C)Oc1cc2nc(C(F)(F)F)cn2cc1C(=O)O.
What is the InChIKey of 7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is HDMDYGLCFZTHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-6(2)20-8-3-10-16-9(12(13,14)15)5-17(10)4-7(8)11(18)19/h3-6H,1-2H3,(H,18,19).
What are the key properties of 7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 288.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 163409780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).