2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine

C12H13F3N2O — CID 59580155

IUPAC2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1cn2ccc(OC(F)(F)F)cc2n1
InChIInChI=1S/C12H13F3N2O/c1-11(2,3)9-7-17-5-4-8(6-10(17)16-9)18-12(13,14)15/h4-7H,1-3H3
InChIKeyMGXLFYMQSVLFHI-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.53
Rot. Bonds1

About 2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine

2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine (PubChem CID 59580155) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine
PubChem CID59580155
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1cn2ccc(OC(F)(F)F)cc2n1
InChIInChI=1S/C12H13F3N2O/c1-11(2,3)9-7-17-5-4-8(6-10(17)16-9)18-12(13,14)15/h4-7H,1-3H3
InChIKeyMGXLFYMQSVLFHI-UHFFFAOYSA-N
XLogP3.53
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine (CID 59580155) is 2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine is CC(C)(C)c1cn2ccc(OC(F)(F)F)cc2n1.
What is the InChIKey of 2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine?
The InChIKey is MGXLFYMQSVLFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-11(2,3)9-7-17-5-4-8(6-10(17)16-9)18-12(13,14)15/h4-7H,1-3H3.
What are the key properties of 2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine?
2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine has a molecular weight of 258.24 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(trifluoromethoxy)imidazo[1,2-a]pyridine is sourced from PubChem (CID 59580155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).