2-(5-bromo-2-pyridinyl)quinoxaline

C13H8BrN3 — CID 162515253

IUPAC2-(5-bromo-2-pyridinyl)quinoxaline
SMILESBrc1ccc(-c2cnc3ccccc3n2)nc1
InChIInChI=1S/C13H8BrN3/c14-9-5-6-11(15-7-9)13-8-16-10-3-1-2-4-12(10)17-13/h1-8H
InChIKeyOEAFSQRATHNBMU-UHFFFAOYSA-N
MW286.13 g/mol
LogP3.45
Rot. Bonds1

About 2-(5-bromo-2-pyridinyl)quinoxaline

2-(5-bromo-2-pyridinyl)quinoxaline (PubChem CID 162515253) has the molecular formula C13H8BrN3 and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)quinoxaline.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)quinoxaline
PubChem CID162515253
Molecular FormulaC13H8BrN3
Molecular Weight286.13 g/mol
Exact Mass284.99
IUPAC Name2-(5-bromo-2-pyridinyl)quinoxaline
SMILESBrc1ccc(-c2cnc3ccccc3n2)nc1
InChIInChI=1S/C13H8BrN3/c14-9-5-6-11(15-7-9)13-8-16-10-3-1-2-4-12(10)17-13/h1-8H
InChIKeyOEAFSQRATHNBMU-UHFFFAOYSA-N
XLogP3.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)quinoxaline?
The IUPAC name of 2-(5-bromo-2-pyridinyl)quinoxaline (CID 162515253) is 2-(5-bromo-2-pyridinyl)quinoxaline.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)quinoxaline?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)quinoxaline is Brc1ccc(-c2cnc3ccccc3n2)nc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)quinoxaline?
The InChIKey is OEAFSQRATHNBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3/c14-9-5-6-11(15-7-9)13-8-16-10-3-1-2-4-12(10)17-13/h1-8H.
What are the key properties of 2-(5-bromo-2-pyridinyl)quinoxaline?
2-(5-bromo-2-pyridinyl)quinoxaline has a molecular weight of 286.13 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)quinoxaline is sourced from PubChem (CID 162515253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).