3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile

C11H5BrFN3O — CID 60620346

IUPAC3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc(Br)cc1F
InChIInChI=1S/C11H5BrFN3O/c12-7-1-2-10(8(13)5-7)17-11-9(6-14)15-3-4-16-11/h1-5H
InChIKeyNRLNLTVKRYTSFT-UHFFFAOYSA-N
MW294.08 g/mol
LogP3.04
Rot. Bonds2

About 3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile

3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile (PubChem CID 60620346) has the molecular formula C11H5BrFN3O and a molecular weight of 294.08 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile
PubChem CID60620346
Molecular FormulaC11H5BrFN3O
Molecular Weight294.08 g/mol
Exact Mass292.96
IUPAC Name3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc(Br)cc1F
InChIInChI=1S/C11H5BrFN3O/c12-7-1-2-10(8(13)5-7)17-11-9(6-14)15-3-4-16-11/h1-5H
InChIKeyNRLNLTVKRYTSFT-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile (CID 60620346) is 3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile is N#Cc1nccnc1Oc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile?
The InChIKey is NRLNLTVKRYTSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFN3O/c12-7-1-2-10(8(13)5-7)17-11-9(6-14)15-3-4-16-11/h1-5H.
What are the key properties of 3-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile?
3-(4-bromo-2-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-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 60620346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).