methyl 6-bromopyrazine-2-carboxylate

C6H5BrN2O2 — CID 52988070

IUPACmethyl 6-bromopyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Br)n1
InChIInChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3
InChIKeyLYNSTNYSMCKCSS-UHFFFAOYSA-N
MW217.02 g/mol
LogP1.03
Rot. Bonds1

About methyl 6-bromopyrazine-2-carboxylate

methyl 6-bromopyrazine-2-carboxylate (PubChem CID 52988070) has the molecular formula C6H5BrN2O2 and a molecular weight of 217.02 g/mol. Its IUPAC name is methyl 6-bromopyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromopyrazine-2-carboxylate
PubChem CID52988070
Molecular FormulaC6H5BrN2O2
Molecular Weight217.02 g/mol
Exact Mass215.95
IUPAC Namemethyl 6-bromopyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Br)n1
InChIInChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3
InChIKeyLYNSTNYSMCKCSS-UHFFFAOYSA-N
XLogP1.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromopyrazine-2-carboxylate?
The IUPAC name of methyl 6-bromopyrazine-2-carboxylate (CID 52988070) is methyl 6-bromopyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-bromopyrazine-2-carboxylate?
The canonical SMILES for methyl 6-bromopyrazine-2-carboxylate is COC(=O)c1cncc(Br)n1.
What is the InChIKey of methyl 6-bromopyrazine-2-carboxylate?
The InChIKey is LYNSTNYSMCKCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3.
What are the key properties of methyl 6-bromopyrazine-2-carboxylate?
methyl 6-bromopyrazine-2-carboxylate has a molecular weight of 217.02 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromopyrazine-2-carboxylate is sourced from PubChem (CID 52988070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).