2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine

C11H6BrF3N2O — CID 166176460

IUPAC2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
SMILESFC(F)(F)Oc1cccc(-c2cncc(Br)n2)c1
InChIInChI=1S/C11H6BrF3N2O/c12-10-6-16-5-9(17-10)7-2-1-3-8(4-7)18-11(13,14)15/h1-6H
InChIKeyXADQWSIRCXMMBS-UHFFFAOYSA-N
MW319.08 g/mol
LogP3.80
Rot. Bonds2

About 2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine

2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine (PubChem CID 166176460) has the molecular formula C11H6BrF3N2O and a molecular weight of 319.08 g/mol. Its IUPAC name is 2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine.

Molecular Properties

Compound Name2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
PubChem CID166176460
Molecular FormulaC11H6BrF3N2O
Molecular Weight319.08 g/mol
Exact Mass317.96
IUPAC Name2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
SMILESFC(F)(F)Oc1cccc(-c2cncc(Br)n2)c1
InChIInChI=1S/C11H6BrF3N2O/c12-10-6-16-5-9(17-10)7-2-1-3-8(4-7)18-11(13,14)15/h1-6H
InChIKeyXADQWSIRCXMMBS-UHFFFAOYSA-N
XLogP3.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.08
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
4,5-dibromo-2-[3-(trifluoromethoxy)phenyl]-1H-imidazole
CID 67133238
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 134626972
3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134622968
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 90750927
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
3,5-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 134365264
6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118854616
3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 133089391

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine?
The IUPAC name of 2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine (CID 166176460) is 2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine.
What is the SMILES notation for 2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine?
The canonical SMILES for 2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine is FC(F)(F)Oc1cccc(-c2cncc(Br)n2)c1.
What is the InChIKey of 2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine?
The InChIKey is XADQWSIRCXMMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N2O/c12-10-6-16-5-9(17-10)7-2-1-3-8(4-7)18-11(13,14)15/h1-6H.
What are the key properties of 2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine?
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine has a molecular weight of 319.08 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine is sourced from PubChem (CID 166176460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).