2,5-dibromo-3-methoxypyrazine

C5H4Br2N2O — CID 11140114

IUPAC2,5-dibromo-3-methoxypyrazine
SMILESCOc1nc(Br)cnc1Br
InChIInChI=1S/C5H4Br2N2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3
InChIKeyUCCBMEAEKQVQCF-UHFFFAOYSA-N
MW267.91 g/mol
LogP2.01
Rot. Bonds1

About 2,5-dibromo-3-methoxypyrazine

2,5-dibromo-3-methoxypyrazine (PubChem CID 11140114) has the molecular formula C5H4Br2N2O and a molecular weight of 267.91 g/mol. Its IUPAC name is 2,5-dibromo-3-methoxypyrazine.

Molecular Properties

Compound Name2,5-dibromo-3-methoxypyrazine
PubChem CID11140114
Molecular FormulaC5H4Br2N2O
Molecular Weight267.91 g/mol
Exact Mass265.87
IUPAC Name2,5-dibromo-3-methoxypyrazine
SMILESCOc1nc(Br)cnc1Br
InChIInChI=1S/C5H4Br2N2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3
InChIKeyUCCBMEAEKQVQCF-UHFFFAOYSA-N
XLogP2.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.91
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-methoxypyrazine?
The IUPAC name of 2,5-dibromo-3-methoxypyrazine (CID 11140114) is 2,5-dibromo-3-methoxypyrazine.
What is the SMILES notation for 2,5-dibromo-3-methoxypyrazine?
The canonical SMILES for 2,5-dibromo-3-methoxypyrazine is COc1nc(Br)cnc1Br.
What is the InChIKey of 2,5-dibromo-3-methoxypyrazine?
The InChIKey is UCCBMEAEKQVQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2N2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3.
What are the key properties of 2,5-dibromo-3-methoxypyrazine?
2,5-dibromo-3-methoxypyrazine has a molecular weight of 267.91 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-methoxypyrazine is sourced from PubChem (CID 11140114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).