3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine

C13H7BrF3N3O — CID 68654903

IUPAC3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cccc(Oc2nccn3c(Br)cnc23)c1
InChIInChI=1S/C13H7BrF3N3O/c14-10-7-19-11-12(18-4-5-20(10)11)21-9-3-1-2-8(6-9)13(15,16)17/h1-7H
InChIKeyUBDKDBHBZSYHTO-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.30
Rot. Bonds2

About 3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine

3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine (PubChem CID 68654903) has the molecular formula C13H7BrF3N3O and a molecular weight of 358.12 g/mol. Its IUPAC name is 3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
PubChem CID68654903
Molecular FormulaC13H7BrF3N3O
Molecular Weight358.12 g/mol
Exact Mass356.97
IUPAC Name3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cccc(Oc2nccn3c(Br)cnc23)c1
InChIInChI=1S/C13H7BrF3N3O/c14-10-7-19-11-12(18-4-5-20(10)11)21-9-3-1-2-8(6-9)13(15,16)17/h1-7H
InChIKeyUBDKDBHBZSYHTO-UHFFFAOYSA-N
XLogP4.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine (CID 68654903) is 3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine is FC(F)(F)c1cccc(Oc2nccn3c(Br)cnc23)c1.
What is the InChIKey of 3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The InChIKey is UBDKDBHBZSYHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3O/c14-10-7-19-11-12(18-4-5-20(10)11)21-9-3-1-2-8(6-9)13(15,16)17/h1-7H.
What are the key properties of 3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine has a molecular weight of 358.12 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 68654903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).