8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine

C14H8BrF3N2O — CID 115404958

IUPAC8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)Oc1ccc(-c2cn3cccc(Br)c3n2)cc1
InChIInChI=1S/C14H8BrF3N2O/c15-11-2-1-7-20-8-12(19-13(11)20)9-3-5-10(6-4-9)21-14(16,17)18/h1-8H
InChIKeyMMNGSHUJJDFWCA-UHFFFAOYSA-N
MW357.13 g/mol
LogP4.66
Rot. Bonds2

About 8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine

8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 115404958) has the molecular formula C14H8BrF3N2O and a molecular weight of 357.13 g/mol. Its IUPAC name is 8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID115404958
Molecular FormulaC14H8BrF3N2O
Molecular Weight357.13 g/mol
Exact Mass355.98
IUPAC Name8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)Oc1ccc(-c2cn3cccc(Br)c3n2)cc1
InChIInChI=1S/C14H8BrF3N2O/c15-11-2-1-7-20-8-12(19-13(11)20)9-3-5-10(6-4-9)21-14(16,17)18/h1-8H
InChIKeyMMNGSHUJJDFWCA-UHFFFAOYSA-N
XLogP4.66
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine (CID 115404958) is 8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine is FC(F)(F)Oc1ccc(-c2cn3cccc(Br)c3n2)cc1.
What is the InChIKey of 8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is MMNGSHUJJDFWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N2O/c15-11-2-1-7-20-8-12(19-13(11)20)9-3-5-10(6-4-9)21-14(16,17)18/h1-8H.
What are the key properties of 8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine?
8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 357.13 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 115404958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).