3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile

C11H5BrFN3O — CID 81332179

IUPAC3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C11H5BrFN3O/c12-7-3-8(13)5-9(4-7)17-11-10(6-14)15-1-2-16-11/h1-5H
InChIKeyIKTQKUPLFIVOBI-UHFFFAOYSA-N
MW294.08 g/mol
LogP3.04
Rot. Bonds2

About 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile

3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile (PubChem CID 81332179) has the molecular formula C11H5BrFN3O and a molecular weight of 294.08 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile
PubChem CID81332179
Molecular FormulaC11H5BrFN3O
Molecular Weight294.08 g/mol
Exact Mass292.96
IUPAC Name3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C11H5BrFN3O/c12-7-3-8(13)5-9(4-7)17-11-10(6-14)15-1-2-16-11/h1-5H
InChIKeyIKTQKUPLFIVOBI-UHFFFAOYSA-N
XLogP3.04
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.08
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid
CID 81326017
3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one
CID 114570741
2-(3-bromo-5-fluorophenoxy)pyridin-3-amine
CID 81322525
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 81331685
3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672882
3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile
CID 55220356
2-(3-bromo-5-fluorophenoxy)pyrazine
CID 81331552
5-bromo-1-(3-bromo-5-fluorophenoxy)isoquinoline
CID 106536992
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
3-naphthalen-2-yloxypyrazine-2-carbonitrile
CID 60620344
3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 62867765

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile (CID 81332179) is 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile is N#Cc1nccnc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile?
The InChIKey is IKTQKUPLFIVOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFN3O/c12-7-3-8(13)5-9(4-7)17-11-10(6-14)15-1-2-16-11/h1-5H.
What are the key properties of 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile?
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile has a molecular weight of 294.08 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 81332179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).