6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine

C12H8BrN3 — CID 6538777

IUPAC6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESBrc1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C12H8BrN3/c13-9-3-1-8(2-4-9)10-7-11-12(16-10)15-6-5-14-11/h1-7H,(H,15,16)
InChIKeyZIPGRNBNZKOCNS-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.39
Rot. Bonds1

About 6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine

6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538777) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538777
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESBrc1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C12H8BrN3/c13-9-3-1-8(2-4-9)10-7-11-12(16-10)15-6-5-14-11/h1-7H,(H,15,16)
InChIKeyZIPGRNBNZKOCNS-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538777) is 6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine is Brc1ccc(-c2cc3nccnc3[nH]2)cc1.
What is the InChIKey of 6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is ZIPGRNBNZKOCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-9-3-1-8(2-4-9)10-7-11-12(16-10)15-6-5-14-11/h1-7H,(H,15,16).
What are the key properties of 6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine?
6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 274.12 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).