3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine

C12H10BrN3 — CID 82378806

IUPAC3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine
SMILESBrc1ccc(-c2cnc3c(n2)NCC3)cc1
InChIInChI=1S/C12H10BrN3/c13-9-3-1-8(2-4-9)11-7-15-10-5-6-14-12(10)16-11/h1-4,7H,5-6H2,(H,14,16)
InChIKeyGPTJPUHLGPKCHU-UHFFFAOYSA-N
MW276.14 g/mol
LogP2.87
Rot. Bonds1

About 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine

3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 82378806) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine
PubChem CID82378806
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine
SMILESBrc1ccc(-c2cnc3c(n2)NCC3)cc1
InChIInChI=1S/C12H10BrN3/c13-9-3-1-8(2-4-9)11-7-15-10-5-6-14-12(10)16-11/h1-4,7H,5-6H2,(H,14,16)
InChIKeyGPTJPUHLGPKCHU-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine (CID 82378806) is 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine is Brc1ccc(-c2cnc3c(n2)NCC3)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is GPTJPUHLGPKCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3/c13-9-3-1-8(2-4-9)11-7-15-10-5-6-14-12(10)16-11/h1-4,7H,5-6H2,(H,14,16).
What are the key properties of 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine?
3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 276.14 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6,7-dihydro-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 82378806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).