2-methyl-6-nitroquinoxaline

C9H7N3O2 — CID 824610

IUPAC2-methyl-6-nitroquinoxaline
SMILESCc1cnc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C9H7N3O2/c1-6-5-10-9-4-7(12(13)14)2-3-8(9)11-6/h2-5H,1H3
InChIKeyCZWQHNDESNJXGS-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.85
Rot. Bonds1

About 2-methyl-6-nitroquinoxaline

2-methyl-6-nitroquinoxaline (PubChem CID 824610) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-methyl-6-nitroquinoxaline.

Molecular Properties

Compound Name2-methyl-6-nitroquinoxaline
PubChem CID824610
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name2-methyl-6-nitroquinoxaline
SMILESCc1cnc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C9H7N3O2/c1-6-5-10-9-4-7(12(13)14)2-3-8(9)11-6/h2-5H,1H3
InChIKeyCZWQHNDESNJXGS-UHFFFAOYSA-N
XLogP1.85
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-methyl-6-nitroquinoxaline?
The IUPAC name of 2-methyl-6-nitroquinoxaline (CID 824610) is 2-methyl-6-nitroquinoxaline.
What is the SMILES notation for 2-methyl-6-nitroquinoxaline?
The canonical SMILES for 2-methyl-6-nitroquinoxaline is Cc1cnc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-methyl-6-nitroquinoxaline?
The InChIKey is CZWQHNDESNJXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-6-5-10-9-4-7(12(13)14)2-3-8(9)11-6/h2-5H,1H3.
What are the key properties of 2-methyl-6-nitroquinoxaline?
2-methyl-6-nitroquinoxaline has a molecular weight of 189.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitroquinoxaline is sourced from PubChem (CID 824610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).