[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate

C16H11F3N2O2 — CID 162535130

IUPAC[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate
SMILESCC(=O)Oc1cccc(-c2cn3cc(C(F)(F)F)ccc3n2)c1
InChIInChI=1S/C16H11F3N2O2/c1-10(22)23-13-4-2-3-11(7-13)14-9-21-8-12(16(17,18)19)5-6-15(21)20-14/h2-9H,1H3
InChIKeyBMVXNPHULHGFNL-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.95
Rot. Bonds2

About [3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate

[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate (PubChem CID 162535130) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is [3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate
PubChem CID162535130
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate
SMILESCC(=O)Oc1cccc(-c2cn3cc(C(F)(F)F)ccc3n2)c1
InChIInChI=1S/C16H11F3N2O2/c1-10(22)23-13-4-2-3-11(7-13)14-9-21-8-12(16(17,18)19)5-6-15(21)20-14/h2-9H,1H3
InChIKeyBMVXNPHULHGFNL-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanesulfonamide
CID 162535328
6-bromo-2-[3-(difluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 115403562
2-(4-bromophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrobromide
CID 67122886
[3-[2-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl] acetate
CID 1498258
4-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol
CID 71614811
2-[3-(6-(125I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol
CID 24880884
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-ol
CID 117130812
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 9146642
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060343
6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 86660860
2-(5-methylpyrazin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159936584
[8-benzyl-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364704

Frequently Asked Questions

What is the IUPAC name of [3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate?
The IUPAC name of [3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate (CID 162535130) is [3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate.
What is the SMILES notation for [3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate?
The canonical SMILES for [3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate is CC(=O)Oc1cccc(-c2cn3cc(C(F)(F)F)ccc3n2)c1.
What is the InChIKey of [3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate?
The InChIKey is BMVXNPHULHGFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-10(22)23-13-4-2-3-11(7-13)14-9-21-8-12(16(17,18)19)5-6-15(21)20-14/h2-9H,1H3.
What are the key properties of [3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate?
[3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate has a molecular weight of 320.27 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] acetate is sourced from PubChem (CID 162535130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).