6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine

C13H12BrF3N2O — CID 154655370

IUPAC6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cc2nc(C3CCOCC3)cn2cc1Br
InChIInChI=1S/C13H12BrF3N2O/c14-10-6-19-7-11(8-1-3-20-4-2-8)18-12(19)5-9(10)13(15,16)17/h5-8H,1-4H2
InChIKeyWIJOXZGEOQQKFH-UHFFFAOYSA-N
MW349.15 g/mol
LogP4.01
Rot. Bonds1

About 6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine

6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 154655370) has the molecular formula C13H12BrF3N2O and a molecular weight of 349.15 g/mol. Its IUPAC name is 6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID154655370
Molecular FormulaC13H12BrF3N2O
Molecular Weight349.15 g/mol
Exact Mass348.01
IUPAC Name6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cc2nc(C3CCOCC3)cn2cc1Br
InChIInChI=1S/C13H12BrF3N2O/c14-10-6-19-7-11(8-1-3-20-4-2-8)18-12(19)5-9(10)13(15,16)17/h5-8H,1-4H2
InChIKeyWIJOXZGEOQQKFH-UHFFFAOYSA-N
XLogP4.01
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 154655370) is 6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine is FC(F)(F)c1cc2nc(C3CCOCC3)cn2cc1Br.
What is the InChIKey of 6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is WIJOXZGEOQQKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2O/c14-10-6-19-7-11(8-1-3-20-4-2-8)18-12(19)5-9(10)13(15,16)17/h5-8H,1-4H2.
What are the key properties of 6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 349.15 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(oxan-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 154655370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).