5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile

C11H5BrFN3O — CID 63660686

IUPAC5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Oc2ccc(Br)cc2F)cn1
InChIInChI=1S/C11H5BrFN3O/c12-7-1-2-10(9(13)3-7)17-11-6-15-8(4-14)5-16-11/h1-3,5-6H
InChIKeyXMOJARWQVYYTIP-UHFFFAOYSA-N
MW294.08 g/mol
LogP3.04
Rot. Bonds2

About 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile

5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile (PubChem CID 63660686) has the molecular formula C11H5BrFN3O and a molecular weight of 294.08 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile
PubChem CID63660686
Molecular FormulaC11H5BrFN3O
Molecular Weight294.08 g/mol
Exact Mass292.96
IUPAC Name5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Oc2ccc(Br)cc2F)cn1
InChIInChI=1S/C11H5BrFN3O/c12-7-1-2-10(9(13)3-7)17-11-6-15-8(4-14)5-16-11/h1-3,5-6H
InChIKeyXMOJARWQVYYTIP-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

Analyze 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile (CID 63660686) is 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile is N#Cc1cnc(Oc2ccc(Br)cc2F)cn1.
What is the InChIKey of 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile?
The InChIKey is XMOJARWQVYYTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFN3O/c12-7-1-2-10(9(13)3-7)17-11-6-15-8(4-14)5-16-11/h1-3,5-6H.
What are the key properties of 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile?
5-(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 5-(4-bromo-2-fluorophenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 63660686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).