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

C16H11F3N2O2 — CID 7226410

IUPAC[2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C(OCc1ccccc1C(F)(F)F)c1cn2ccccc2n1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-6-2-1-5-11(12)10-23-15(22)13-9-21-8-4-3-7-14(21)20-13/h1-9H,10H2
InChIKeyMLMTXYHUZJZAMY-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.71
Rot. Bonds3

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

[2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7226410) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7226410
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name[2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C(OCc1ccccc1C(F)(F)F)c1cn2ccccc2n1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-6-2-1-5-11(12)10-23-15(22)13-9-21-8-4-3-7-14(21)20-13/h1-9H,10H2
InChIKeyMLMTXYHUZJZAMY-UHFFFAOYSA-N
XLogP3.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-1-ylmethyl imidazo[1,2-a]pyridine-2-carboxylate
CID 7246898
(4-tert-butylphenyl)methyl imidazo[1,2-a]pyridine-2-carboxylate
CID 7246887
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 159608487
cyclopropyl imidazo[1,2-a]pyridine-2-carboxylate
CID 165133317
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
[2-(trifluoromethyl)phenyl]methyl 1H-pyrazole-5-carboxylate
CID 47028697
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
2-(3,3,3-trifluoroprop-1-en-2-yl)imidazo[1,2-a]pyridine
CID 175690845
[2-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 102335909
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate (CID 7226410) is [2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate is O=C(OCc1ccccc1C(F)(F)F)c1cn2ccccc2n1.
What is the InChIKey of [2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is MLMTXYHUZJZAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)12-6-2-1-5-11(12)10-23-15(22)13-9-21-8-4-3-7-14(21)20-13/h1-9H,10H2.
What are the key properties of [2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate?
[2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 320.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]methyl imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7226410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).