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

C13H7BrF3N3O — CID 79953055

IUPAC6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cccc(Oc2nc(Br)cn3ccnc23)c1
InChIInChI=1S/C13H7BrF3N3O/c14-10-7-20-5-4-18-11(20)12(19-10)21-9-3-1-2-8(6-9)13(15,16)17/h1-7H
InChIKeyNTEIRNGLZJOCRF-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.30
Rot. Bonds2

About 6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine

6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine (PubChem CID 79953055) has the molecular formula C13H7BrF3N3O and a molecular weight of 358.12 g/mol. Its IUPAC name is 6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
PubChem CID79953055
Molecular FormulaC13H7BrF3N3O
Molecular Weight358.12 g/mol
Exact Mass356.97
IUPAC Name6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cccc(Oc2nc(Br)cn3ccnc23)c1
InChIInChI=1S/C13H7BrF3N3O/c14-10-7-20-5-4-18-11(20)12(19-10)21-9-3-1-2-8(6-9)13(15,16)17/h1-7H
InChIKeyNTEIRNGLZJOCRF-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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Related Compounds

2-Nitro-8-[2-[4-(trifluoromethoxy)phenyl]ethoxy]imidazo[1,2-a]pyrazine
CID 155560172
2-Nitro-8-[[2-(trifluoromethoxy)phenyl]methoxy]imidazo[1,2-a]pyrazine
CID 155526214
3-Bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
CID 68654903
6-Bromo-8-[4-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
CID 79953042
6-Bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine
CID 79955578
3-[5-Fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
CID 166929602
3-[4-Fluoro-2-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine
CID 166929856
3-[4-Fluoro-2-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 166929857
6-Isocyano-8-[[3-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyrazine
CID 168081322
6-Isocyano-8-[3-(trifluoromethoxy)phenoxy]imidazo[1,2-a]pyrazine
CID 168081661
6-Isocyano-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyrazine
CID 168081662
6-Bromo-8-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[1,2-a]pyrazine
CID 168081705

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine (CID 79953055) is 6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine is FC(F)(F)c1cccc(Oc2nc(Br)cn3ccnc23)c1.
What is the InChIKey of 6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
The InChIKey is NTEIRNGLZJOCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3O/c14-10-7-20-5-4-18-11(20)12(19-10)21-9-3-1-2-8(6-9)13(15,16)17/h1-7H.
What are the key properties of 6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine?
6-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 6-bromo-8-[3-(trifluoromethyl)phenoxy]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79953055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).