[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate

C13H14F3N3O2 — CID 67303621

IUPAC[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cccn2cc(C(F)(F)F)nc12
InChIInChI=1S/C13H14F3N3O2/c1-12(2,3)18-11(20)21-8-5-4-6-19-7-9(13(14,15)16)17-10(8)19/h4-7H,1-3H3,(H,18,20)
InChIKeyGQTGIVMTVLQNFM-UHFFFAOYSA-N
MW301.27 g/mol
LogP3.24
Rot. Bonds1

About [2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate

[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate (PubChem CID 67303621) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is [2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate
PubChem CID67303621
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cccn2cc(C(F)(F)F)nc12
InChIInChI=1S/C13H14F3N3O2/c1-12(2,3)18-11(20)21-8-5-4-6-19-7-9(13(14,15)16)17-10(8)19/h4-7H,1-3H3,(H,18,20)
InChIKeyGQTGIVMTVLQNFM-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate?
The IUPAC name of [2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate (CID 67303621) is [2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate.
What is the SMILES notation for [2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate?
The canonical SMILES for [2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1cccn2cc(C(F)(F)F)nc12.
What is the InChIKey of [2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate?
The InChIKey is GQTGIVMTVLQNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-12(2,3)18-11(20)21-8-5-4-6-19-7-9(13(14,15)16)17-10(8)19/h4-7H,1-3H3,(H,18,20).
What are the key properties of [2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate?
[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate has a molecular weight of 301.27 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl] N-tert-butylcarbamate is sourced from PubChem (CID 67303621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).