methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate

C16H11F3N2O2 — CID 45158622

IUPACmethyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cn3ccc(C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C16H11F3N2O2/c1-23-15(22)11-4-2-10(3-5-11)13-9-21-7-6-12(16(17,18)19)8-14(21)20-13/h2-9H,1H3
InChIKeyIAULBTDPFGHGFQ-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.81
Rot. Bonds2

About methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate

methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate (PubChem CID 45158622) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
PubChem CID45158622
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Namemethyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cn3ccc(C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C16H11F3N2O2/c1-23-15(22)11-4-2-10(3-5-11)13-9-21-7-6-12(16(17,18)19)8-14(21)20-13/h2-9H,1H3
InChIKeyIAULBTDPFGHGFQ-UHFFFAOYSA-N
XLogP3.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
The IUPAC name of methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate (CID 45158622) is methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
The canonical SMILES for methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate is COC(=O)c1ccc(-c2cn3ccc(C(F)(F)F)cc3n2)cc1.
What is the InChIKey of methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
The InChIKey is IAULBTDPFGHGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-23-15(22)11-4-2-10(3-5-11)13-9-21-7-6-12(16(17,18)19)8-14(21)20-13/h2-9H,1H3.
What are the key properties of methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate has a molecular weight of 320.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate is sourced from PubChem (CID 45158622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).