2-bromo-5H-pyrrolo[2,3-b]pyrazine

C6H4BrN3 — CID 25067308

IUPAC2-bromo-5H-pyrrolo[2,3-b]pyrazine
SMILESBrc1cnc2[nH]ccc2n1
InChIInChI=1S/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)
InChIKeyKTKMLXBEBKGQGL-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.72
Rot. Bonds

About 2-bromo-5H-pyrrolo[2,3-b]pyrazine

2-bromo-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 25067308) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 2-bromo-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-bromo-5H-pyrrolo[2,3-b]pyrazine
PubChem CID25067308
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name2-bromo-5H-pyrrolo[2,3-b]pyrazine
SMILESBrc1cnc2[nH]ccc2n1
InChIInChI=1S/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)
InChIKeyKTKMLXBEBKGQGL-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-bromo-5H-pyrrolo[2,3-b]pyrazine (CID 25067308) is 2-bromo-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-bromo-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-bromo-5H-pyrrolo[2,3-b]pyrazine is Brc1cnc2[nH]ccc2n1.
What is the InChIKey of 2-bromo-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is KTKMLXBEBKGQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9).
What are the key properties of 2-bromo-5H-pyrrolo[2,3-b]pyrazine?
2-bromo-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 198.02 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 25067308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).