2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine

C11H7BrClFN2O — CID 107373790

IUPAC2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine
SMILESFc1cc(Oc2cnc(CCl)cn2)ccc1Br
InChIInChI=1S/C11H7BrClFN2O/c12-9-2-1-8(3-10(9)14)17-11-6-15-7(4-13)5-16-11/h1-3,5-6H,4H2
InChIKeyKSUQPWDKFIYQSA-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.91
Rot. Bonds3

About 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine

2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine (PubChem CID 107373790) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine
PubChem CID107373790
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine
SMILESFc1cc(Oc2cnc(CCl)cn2)ccc1Br
InChIInChI=1S/C11H7BrClFN2O/c12-9-2-1-8(3-10(9)14)17-11-6-15-7(4-13)5-16-11/h1-3,5-6H,4H2
InChIKeyKSUQPWDKFIYQSA-UHFFFAOYSA-N
XLogP3.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine (CID 107373790) is 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine is Fc1cc(Oc2cnc(CCl)cn2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine?
The InChIKey is KSUQPWDKFIYQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c12-9-2-1-8(3-10(9)14)17-11-6-15-7(4-13)5-16-11/h1-3,5-6H,4H2.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine?
2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine has a molecular weight of 317.55 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine is sourced from PubChem (CID 107373790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).