6-methyl-5-nitroquinoxaline

C9H7N3O2 — CID 55271660

IUPAC6-methyl-5-nitroquinoxaline
SMILESCc1ccc2nccnc2c1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O2/c1-6-2-3-7-8(9(6)12(13)14)11-5-4-10-7/h2-5H,1H3
InChIKeyHPEQBKZZLPHAGJ-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.85
Rot. Bonds1

About 6-methyl-5-nitroquinoxaline

6-methyl-5-nitroquinoxaline (PubChem CID 55271660) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 6-methyl-5-nitroquinoxaline.

Molecular Properties

Compound Name6-methyl-5-nitroquinoxaline
PubChem CID55271660
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name6-methyl-5-nitroquinoxaline
SMILESCc1ccc2nccnc2c1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O2/c1-6-2-3-7-8(9(6)12(13)14)11-5-4-10-7/h2-5H,1H3
InChIKeyHPEQBKZZLPHAGJ-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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Related Compounds

1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
5-methyl-4-nitro-1,3-benzoxazole
CID 170638026
tris(pyrazino[2,3-f]quinoxaline);ruthenium
CID 57355129
5-fluoro-6-nitroquinoxaline
CID 164822939
2-fluoro-4-methyl-3-nitrobenzaldehyde
CID 130767898
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266
6-methyl-7-nitroquinoxaline
CID 55271661
3-bromo-6-methyl-7-nitro-2H-indazole
CID 74888863
ethane;6-nitroquinoxaline
CID 143926485
3,5-dimethyl-4-nitro-1,2-benzoxazole
CID 15561249
N-(2,5-dichloropyrimidin-4-yl)-5-nitroquinoxalin-6-amine
CID 168806412
4-methyl-3-nitrobenzene-1,2-diamine
CID 3639343

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitroquinoxaline?
The IUPAC name of 6-methyl-5-nitroquinoxaline (CID 55271660) is 6-methyl-5-nitroquinoxaline.
What is the SMILES notation for 6-methyl-5-nitroquinoxaline?
The canonical SMILES for 6-methyl-5-nitroquinoxaline is Cc1ccc2nccnc2c1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitroquinoxaline?
The InChIKey is HPEQBKZZLPHAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-6-2-3-7-8(9(6)12(13)14)11-5-4-10-7/h2-5H,1H3.
What are the key properties of 6-methyl-5-nitroquinoxaline?
6-methyl-5-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 6-methyl-5-nitroquinoxaline is sourced from PubChem (CID 55271660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).