methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

C11H9F3N2O2 — CID 46941700

IUPACmethyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(C(F)(F)F)cn2c1C
InChIInChI=1S/C11H9F3N2O2/c1-6-9(10(17)18-2)15-8-4-3-7(5-16(6)8)11(12,13)14/h3-5H,1-2H3
InChIKeyGKMOSWKEYGYKSF-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.45
Rot. Bonds1

About methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 46941700) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID46941700
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Namemethyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(C(F)(F)F)cn2c1C
InChIInChI=1S/C11H9F3N2O2/c1-6-9(10(17)18-2)15-8-4-3-7(5-16(6)8)11(12,13)14/h3-5H,1-2H3
InChIKeyGKMOSWKEYGYKSF-UHFFFAOYSA-N
XLogP2.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 821015
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
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
Ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 11736475
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
Ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 10567382
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 methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 46941700) is methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2ccc(C(F)(F)F)cn2c1C.
What is the InChIKey of methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is GKMOSWKEYGYKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-6-9(10(17)18-2)15-8-4-3-7(5-16(6)8)11(12,13)14/h3-5H,1-2H3.
What are the key properties of methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 258.20 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 46941700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).