ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate

C11H15BrN2O2 — CID 135078491

IUPACethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)c(C(C)C)nc1C
InChIInChI=1S/C11H15BrN2O2/c1-5-16-11(15)9-7(4)13-8(6(2)3)10(12)14-9/h6H,5H2,1-4H3
InChIKeyJZFNQTYHDAHVGV-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.85
Rot. Bonds3

About ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate

ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate (PubChem CID 135078491) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate
PubChem CID135078491
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Nameethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)c(C(C)C)nc1C
InChIInChI=1S/C11H15BrN2O2/c1-5-16-11(15)9-7(4)13-8(6(2)3)10(12)14-9/h6H,5H2,1-4H3
InChIKeyJZFNQTYHDAHVGV-UHFFFAOYSA-N
XLogP2.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate (CID 135078491) is ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate is CCOC(=O)c1nc(Br)c(C(C)C)nc1C.
What is the InChIKey of ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate?
The InChIKey is JZFNQTYHDAHVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-5-16-11(15)9-7(4)13-8(6(2)3)10(12)14-9/h6H,5H2,1-4H3.
What are the key properties of ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate?
ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate has a molecular weight of 287.16 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-3-methyl-5-propan-2-ylpyrazine-2-carboxylate is sourced from PubChem (CID 135078491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).