2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine

C11H7Cl2FN2O — CID 82716672

IUPAC2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine
SMILESFc1cc(Oc2cncc(CCl)n2)ccc1Cl
InChIInChI=1S/C11H7Cl2FN2O/c12-4-7-5-15-6-11(16-7)17-8-1-2-9(13)10(14)3-8/h1-3,5-6H,4H2
InChIKeyXVNQPVSFVDPRRS-UHFFFAOYSA-N
MW273.09 g/mol
LogP3.80
Rot. Bonds3

About 2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine

2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine (PubChem CID 82716672) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine
PubChem CID82716672
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine
SMILESFc1cc(Oc2cncc(CCl)n2)ccc1Cl
InChIInChI=1S/C11H7Cl2FN2O/c12-4-7-5-15-6-11(16-7)17-8-1-2-9(13)10(14)3-8/h1-3,5-6H,4H2
InChIKeyXVNQPVSFVDPRRS-UHFFFAOYSA-N
XLogP3.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 53.80
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-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine (CID 82716672) is 2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine is Fc1cc(Oc2cncc(CCl)n2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine?
The InChIKey is XVNQPVSFVDPRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-4-7-5-15-6-11(16-7)17-8-1-2-9(13)10(14)3-8/h1-3,5-6H,4H2.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine?
2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine has a molecular weight of 273.09 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine is sourced from PubChem (CID 82716672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).