5-nitro-2,3-dipyridin-2-ylquinoxaline

C18H11N5O2 — CID 14515141

IUPAC5-nitro-2,3-dipyridin-2-ylquinoxaline
SMILESO=[N+]([O-])c1cccc2nc(-c3ccccn3)c(-c3ccccn3)nc12
InChIInChI=1S/C18H11N5O2/c24-23(25)15-9-5-8-14-16(15)22-18(13-7-2-4-11-20-13)17(21-14)12-6-1-3-10-19-12/h1-11H
InChIKeyMMIIROYUIWONJJ-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.66
Rot. Bonds3

About 5-nitro-2,3-dipyridin-2-ylquinoxaline

5-nitro-2,3-dipyridin-2-ylquinoxaline (PubChem CID 14515141) has the molecular formula C18H11N5O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 5-nitro-2,3-dipyridin-2-ylquinoxaline.

Molecular Properties

Compound Name5-nitro-2,3-dipyridin-2-ylquinoxaline
PubChem CID14515141
Molecular FormulaC18H11N5O2
Molecular Weight329.32 g/mol
Exact Mass329.09
IUPAC Name5-nitro-2,3-dipyridin-2-ylquinoxaline
SMILESO=[N+]([O-])c1cccc2nc(-c3ccccn3)c(-c3ccccn3)nc12
InChIInChI=1S/C18H11N5O2/c24-23(25)15-9-5-8-14-16(15)22-18(13-7-2-4-11-20-13)17(21-14)12-6-1-3-10-19-12/h1-11H
InChIKeyMMIIROYUIWONJJ-UHFFFAOYSA-N
XLogP3.66
TPSA94.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-2,3-dipyridin-2-ylquinoxaline?
The IUPAC name of 5-nitro-2,3-dipyridin-2-ylquinoxaline (CID 14515141) is 5-nitro-2,3-dipyridin-2-ylquinoxaline.
What is the SMILES notation for 5-nitro-2,3-dipyridin-2-ylquinoxaline?
The canonical SMILES for 5-nitro-2,3-dipyridin-2-ylquinoxaline is O=[N+]([O-])c1cccc2nc(-c3ccccn3)c(-c3ccccn3)nc12.
What is the InChIKey of 5-nitro-2,3-dipyridin-2-ylquinoxaline?
The InChIKey is MMIIROYUIWONJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5O2/c24-23(25)15-9-5-8-14-16(15)22-18(13-7-2-4-11-20-13)17(21-14)12-6-1-3-10-19-12/h1-11H.
What are the key properties of 5-nitro-2,3-dipyridin-2-ylquinoxaline?
5-nitro-2,3-dipyridin-2-ylquinoxaline has a molecular weight of 329.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2,3-dipyridin-2-ylquinoxaline is sourced from PubChem (CID 14515141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).