ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate

C17H13F3N2O2 — CID 66650296

IUPACethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C17H13F3N2O2/c1-2-24-16(23)14-9-21-15-8-5-12(10-22(14)15)11-3-6-13(7-4-11)17(18,19)20/h3-10H,2H2,1H3
InChIKeyHTIJSRFNOPHRTJ-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.20
Rot. Bonds3

About ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 66650296) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID66650296
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Nameethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C17H13F3N2O2/c1-2-24-16(23)14-9-21-15-8-5-12(10-22(14)15)11-3-6-13(7-4-11)17(18,19)20/h3-10H,2H2,1H3
InChIKeyHTIJSRFNOPHRTJ-UHFFFAOYSA-N
XLogP4.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate (CID 66650296) is ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3ccc(C(F)(F)F)cc3)cn12.
What is the InChIKey of ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is HTIJSRFNOPHRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-2-24-16(23)14-9-21-15-8-5-12(10-22(14)15)11-3-6-13(7-4-11)17(18,19)20/h3-10H,2H2,1H3.
What are the key properties of ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 334.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 66650296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).