ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

C17H12F4N2O2 — CID 68746728

IUPACethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cccc(F)c3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C17H12F4N2O2/c1-2-25-16(24)14-9-23-8-11(10-4-3-5-12(18)6-10)7-13(15(23)22-14)17(19,20)21/h3-9H,2H2,1H3
InChIKeyYKQSDNXPEBOWCW-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.34
Rot. Bonds3

About ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 68746728) has the molecular formula C17H12F4N2O2 and a molecular weight of 352.29 g/mol. Its IUPAC name is ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID68746728
Molecular FormulaC17H12F4N2O2
Molecular Weight352.29 g/mol
Exact Mass352.08
IUPAC Nameethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cccc(F)c3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C17H12F4N2O2/c1-2-25-16(24)14-9-23-8-11(10-4-3-5-12(18)6-10)7-13(15(23)22-14)17(19,20)21/h3-9H,2H2,1H3
InChIKeyYKQSDNXPEBOWCW-UHFFFAOYSA-N
XLogP4.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 68746728) is ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cccc(F)c3)cc(C(F)(F)F)c2n1.
What is the InChIKey of ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is YKQSDNXPEBOWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2/c1-2-25-16(24)14-9-23-8-11(10-4-3-5-12(18)6-10)7-13(15(23)22-14)17(19,20)21/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 352.29 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 68746728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).