2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine

C10H5BrCl2N2O — CID 60707984

IUPAC2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine
SMILESClc1cncc(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C10H5BrCl2N2O/c11-6-1-2-8(7(12)3-6)16-10-5-14-4-9(13)15-10/h1-5H
InChIKeyUASMDXVRVFVQFD-UHFFFAOYSA-N
MW319.97 g/mol
LogP4.34
Rot. Bonds2

About 2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine

2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine (PubChem CID 60707984) has the molecular formula C10H5BrCl2N2O and a molecular weight of 319.97 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine
PubChem CID60707984
Molecular FormulaC10H5BrCl2N2O
Molecular Weight319.97 g/mol
Exact Mass317.90
IUPAC Name2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine
SMILESClc1cncc(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C10H5BrCl2N2O/c11-6-1-2-8(7(12)3-6)16-10-5-14-4-9(13)15-10/h1-5H
InChIKeyUASMDXVRVFVQFD-UHFFFAOYSA-N
XLogP4.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.97
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine (CID 60707984) is 2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine is Clc1cncc(Oc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine?
The InChIKey is UASMDXVRVFVQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2O/c11-6-1-2-8(7(12)3-6)16-10-5-14-4-9(13)15-10/h1-5H.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine?
2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine has a molecular weight of 319.97 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-6-chloropyrazine is sourced from PubChem (CID 60707984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).