2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

C11H9F3N2O3 — CID 82529869

IUPAC2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCOCc1nc2cc(C(F)(F)F)ccn2c1C(=O)O
InChIInChI=1S/C11H9F3N2O3/c1-19-5-7-9(10(17)18)16-3-2-6(11(12,13)14)4-8(16)15-7/h2-4H,5H2,1H3,(H,17,18)
InChIKeyDQAXWWAFGZBEIH-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.20
Rot. Bonds3

About 2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82529869) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82529869
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCOCc1nc2cc(C(F)(F)F)ccn2c1C(=O)O
InChIInChI=1S/C11H9F3N2O3/c1-19-5-7-9(10(17)18)16-3-2-6(11(12,13)14)4-8(16)15-7/h2-4H,5H2,1H3,(H,17,18)
InChIKeyDQAXWWAFGZBEIH-UHFFFAOYSA-N
XLogP2.20
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 82529869) is 2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is COCc1nc2cc(C(F)(F)F)ccn2c1C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is DQAXWWAFGZBEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c1-19-5-7-9(10(17)18)16-3-2-6(11(12,13)14)4-8(16)15-7/h2-4H,5H2,1H3,(H,17,18).
What are the key properties of 2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 274.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82529869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).