2,5-dibromo-3-(4-chlorophenyl)pyrazine

C10H5Br2ClN2 — CID 86616976

IUPAC2,5-dibromo-3-(4-chlorophenyl)pyrazine
SMILESClc1ccc(-c2nc(Br)cnc2Br)cc1
InChIInChI=1S/C10H5Br2ClN2/c11-8-5-14-10(12)9(15-8)6-1-3-7(13)4-2-6/h1-5H
InChIKeyINOAXJJTEWLQBI-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.32
Rot. Bonds1

About 2,5-dibromo-3-(4-chlorophenyl)pyrazine

2,5-dibromo-3-(4-chlorophenyl)pyrazine (PubChem CID 86616976) has the molecular formula C10H5Br2ClN2 and a molecular weight of 348.43 g/mol. Its IUPAC name is 2,5-dibromo-3-(4-chlorophenyl)pyrazine.

Molecular Properties

Compound Name2,5-dibromo-3-(4-chlorophenyl)pyrazine
PubChem CID86616976
Molecular FormulaC10H5Br2ClN2
Molecular Weight348.43 g/mol
Exact Mass345.85
IUPAC Name2,5-dibromo-3-(4-chlorophenyl)pyrazine
SMILESClc1ccc(-c2nc(Br)cnc2Br)cc1
InChIInChI=1S/C10H5Br2ClN2/c11-8-5-14-10(12)9(15-8)6-1-3-7(13)4-2-6/h1-5H
InChIKeyINOAXJJTEWLQBI-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-(4-chlorophenyl)pyrazine?
The IUPAC name of 2,5-dibromo-3-(4-chlorophenyl)pyrazine (CID 86616976) is 2,5-dibromo-3-(4-chlorophenyl)pyrazine.
What is the SMILES notation for 2,5-dibromo-3-(4-chlorophenyl)pyrazine?
The canonical SMILES for 2,5-dibromo-3-(4-chlorophenyl)pyrazine is Clc1ccc(-c2nc(Br)cnc2Br)cc1.
What is the InChIKey of 2,5-dibromo-3-(4-chlorophenyl)pyrazine?
The InChIKey is INOAXJJTEWLQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2ClN2/c11-8-5-14-10(12)9(15-8)6-1-3-7(13)4-2-6/h1-5H.
What are the key properties of 2,5-dibromo-3-(4-chlorophenyl)pyrazine?
2,5-dibromo-3-(4-chlorophenyl)pyrazine has a molecular weight of 348.43 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(4-chlorophenyl)pyrazine is sourced from PubChem (CID 86616976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).