6-bromo-1-methoxypyrrolo[1,2-a]pyrazine

C8H7BrN2O — CID 158964785

IUPAC6-bromo-1-methoxypyrrolo[1,2-a]pyrazine
SMILESCOc1nccn2c(Br)ccc12
InChIInChI=1S/C8H7BrN2O/c1-12-8-6-2-3-7(9)11(6)5-4-10-8/h2-5H,1H3
InChIKeyJNBGEBCIKAWVSH-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.11
Rot. Bonds1

About 6-bromo-1-methoxypyrrolo[1,2-a]pyrazine

6-bromo-1-methoxypyrrolo[1,2-a]pyrazine (PubChem CID 158964785) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 6-bromo-1-methoxypyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-1-methoxypyrrolo[1,2-a]pyrazine
PubChem CID158964785
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name6-bromo-1-methoxypyrrolo[1,2-a]pyrazine
SMILESCOc1nccn2c(Br)ccc12
InChIInChI=1S/C8H7BrN2O/c1-12-8-6-2-3-7(9)11(6)5-4-10-8/h2-5H,1H3
InChIKeyJNBGEBCIKAWVSH-UHFFFAOYSA-N
XLogP2.11
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methoxypyrrolo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-1-methoxypyrrolo[1,2-a]pyrazine (CID 158964785) is 6-bromo-1-methoxypyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-1-methoxypyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-1-methoxypyrrolo[1,2-a]pyrazine is COc1nccn2c(Br)ccc12.
What is the InChIKey of 6-bromo-1-methoxypyrrolo[1,2-a]pyrazine?
The InChIKey is JNBGEBCIKAWVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-12-8-6-2-3-7(9)11(6)5-4-10-8/h2-5H,1H3.
What are the key properties of 6-bromo-1-methoxypyrrolo[1,2-a]pyrazine?
6-bromo-1-methoxypyrrolo[1,2-a]pyrazine has a molecular weight of 227.06 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methoxypyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 158964785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).