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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Related Compounds

2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene
CID 166471814
2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;methanol
CID 166472332
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877639
N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 171573966
2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 167420033
2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 167420223
7-butan-2-yloxy-2-[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 164554929
5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid
CID 118331973
2-propan-2-yloxy-4-(trifluoromethylsulfonyloxy)benzoic acid
CID 23090775
2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid
CID 164893503
N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998188
6-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 177158713

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).