methyl 3-amino-5,6-dibromopyrazine-2-carboxylate

C6H5Br2N3O2 — CID 141482707

IUPACmethyl 3-amino-5,6-dibromopyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Br)c(Br)nc1N
InChIInChI=1S/C6H5Br2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)
InChIKeySZBZQXNUHNQIJV-UHFFFAOYSA-N
MW310.93 g/mol
LogP1.37
Rot. Bonds1

About methyl 3-amino-5,6-dibromopyrazine-2-carboxylate

methyl 3-amino-5,6-dibromopyrazine-2-carboxylate (PubChem CID 141482707) has the molecular formula C6H5Br2N3O2 and a molecular weight of 310.93 g/mol. Its IUPAC name is methyl 3-amino-5,6-dibromopyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5,6-dibromopyrazine-2-carboxylate
PubChem CID141482707
Molecular FormulaC6H5Br2N3O2
Molecular Weight310.93 g/mol
Exact Mass308.87
IUPAC Namemethyl 3-amino-5,6-dibromopyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Br)c(Br)nc1N
InChIInChI=1S/C6H5Br2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)
InChIKeySZBZQXNUHNQIJV-UHFFFAOYSA-N
XLogP1.37
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.93
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5,6-dibromopyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5,6-dibromopyrazine-2-carboxylate (CID 141482707) is methyl 3-amino-5,6-dibromopyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5,6-dibromopyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5,6-dibromopyrazine-2-carboxylate is COC(=O)c1nc(Br)c(Br)nc1N.
What is the InChIKey of methyl 3-amino-5,6-dibromopyrazine-2-carboxylate?
The InChIKey is SZBZQXNUHNQIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11).
What are the key properties of methyl 3-amino-5,6-dibromopyrazine-2-carboxylate?
methyl 3-amino-5,6-dibromopyrazine-2-carboxylate has a molecular weight of 310.93 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5,6-dibromopyrazine-2-carboxylate is sourced from PubChem (CID 141482707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).