2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine

C10H12BrN3 — CID 162679044

IUPAC2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine
SMILESCC(C)Cn1ccc2nc(Br)cnc21
InChIInChI=1S/C10H12BrN3/c1-7(2)6-14-4-3-8-10(14)12-5-9(11)13-8/h3-5,7H,6H2,1-2H3
InChIKeyJRZDFFZEPHDKGS-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.85
Rot. Bonds2

About 2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine

2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine (PubChem CID 162679044) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine
PubChem CID162679044
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine
SMILESCC(C)Cn1ccc2nc(Br)cnc21
InChIInChI=1S/C10H12BrN3/c1-7(2)6-14-4-3-8-10(14)12-5-9(11)13-8/h3-5,7H,6H2,1-2H3
InChIKeyJRZDFFZEPHDKGS-UHFFFAOYSA-N
XLogP2.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine (CID 162679044) is 2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine is CC(C)Cn1ccc2nc(Br)cnc21.
What is the InChIKey of 2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine?
The InChIKey is JRZDFFZEPHDKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7(2)6-14-4-3-8-10(14)12-5-9(11)13-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine?
2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine has a molecular weight of 254.13 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methylpropyl)pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 162679044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).