2-pyridin-3-ylquinoxaline

C13H9N3 — CID 4246168

IUPAC2-pyridin-3-ylquinoxaline
SMILESc1cncc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C13H9N3/c1-2-6-12-11(5-1)15-9-13(16-12)10-4-3-7-14-8-10/h1-9H
InChIKeyDEZOPDJYXKJVGA-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.69
Rot. Bonds1

About 2-pyridin-3-ylquinoxaline

2-pyridin-3-ylquinoxaline (PubChem CID 4246168) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-pyridin-3-ylquinoxaline.

Molecular Properties

Compound Name2-pyridin-3-ylquinoxaline
PubChem CID4246168
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name2-pyridin-3-ylquinoxaline
SMILESc1cncc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C13H9N3/c1-2-6-12-11(5-1)15-9-13(16-12)10-4-3-7-14-8-10/h1-9H
InChIKeyDEZOPDJYXKJVGA-UHFFFAOYSA-N
XLogP2.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylquinoxaline?
The IUPAC name of 2-pyridin-3-ylquinoxaline (CID 4246168) is 2-pyridin-3-ylquinoxaline.
What is the SMILES notation for 2-pyridin-3-ylquinoxaline?
The canonical SMILES for 2-pyridin-3-ylquinoxaline is c1cncc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-pyridin-3-ylquinoxaline?
The InChIKey is DEZOPDJYXKJVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c1-2-6-12-11(5-1)15-9-13(16-12)10-4-3-7-14-8-10/h1-9H.
What are the key properties of 2-pyridin-3-ylquinoxaline?
2-pyridin-3-ylquinoxaline has a molecular weight of 207.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylquinoxaline is sourced from PubChem (CID 4246168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).