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

C12H11F3N2O2 — CID 82063206

IUPAC3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C12H11F3N2O2/c1-6(2)10-9(11(18)19)16-8-4-3-7(5-17(8)10)12(13,14)15/h3-6H,1-2H3,(H,18,19)
InChIKeyATKGYEIGIAKDGR-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.17
Rot. Bonds2

About 3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82063206) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82063206
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C12H11F3N2O2/c1-6(2)10-9(11(18)19)16-8-4-3-7(5-17(8)10)12(13,14)15/h3-6H,1-2H3,(H,18,19)
InChIKeyATKGYEIGIAKDGR-UHFFFAOYSA-N
XLogP3.17
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
2-Chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2360195
Imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 718831
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 82063206) is 3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is CC(C)c1c(C(=O)O)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is ATKGYEIGIAKDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-6(2)10-9(11(18)19)16-8-4-3-7(5-17(8)10)12(13,14)15/h3-6H,1-2H3,(H,18,19).
What are the key properties of 3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 272.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82063206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).