methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate

C11H14BrN3O2 — CID 86619522

IUPACmethyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCCCC2)c(Br)n1
InChIInChI=1S/C11H14BrN3O2/c1-17-11(16)8-7-13-10(9(12)14-8)15-5-3-2-4-6-15/h7H,2-6H2,1H3
InChIKeyVQSGLCHZPIZZOH-UHFFFAOYSA-N
MW300.16 g/mol
LogP2.02
Rot. Bonds2

About methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate

methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate (PubChem CID 86619522) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate
PubChem CID86619522
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Namemethyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCCCC2)c(Br)n1
InChIInChI=1S/C11H14BrN3O2/c1-17-11(16)8-7-13-10(9(12)14-8)15-5-3-2-4-6-15/h7H,2-6H2,1H3
InChIKeyVQSGLCHZPIZZOH-UHFFFAOYSA-N
XLogP2.02
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate (CID 86619522) is methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate is COC(=O)c1cnc(N2CCCCC2)c(Br)n1.
What is the InChIKey of methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate?
The InChIKey is VQSGLCHZPIZZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-17-11(16)8-7-13-10(9(12)14-8)15-5-3-2-4-6-15/h7H,2-6H2,1H3.
What are the key properties of methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate?
methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate has a molecular weight of 300.16 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-5-piperidin-1-ylpyrazine-2-carboxylate is sourced from PubChem (CID 86619522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).