2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid

C11H9N3O4 — CID 46707913

IUPAC2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid
SMILESCc1nc2cc([N+](=O)[O-])cc(C(=O)O)c2nc1C
InChIInChI=1S/C11H9N3O4/c1-5-6(2)13-10-8(11(15)16)3-7(14(17)18)4-9(10)12-5/h3-4H,1-2H3,(H,15,16)
InChIKeyOQXVQYFEXHXXOR-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.85
Rot. Bonds2

About 2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid

2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid (PubChem CID 46707913) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid
PubChem CID46707913
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid
SMILESCc1nc2cc([N+](=O)[O-])cc(C(=O)O)c2nc1C
InChIInChI=1S/C11H9N3O4/c1-5-6(2)13-10-8(11(15)16)3-7(14(17)18)4-9(10)12-5/h3-4H,1-2H3,(H,15,16)
InChIKeyOQXVQYFEXHXXOR-UHFFFAOYSA-N
XLogP1.85
TPSA106.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-hydroxy-3-methyl-5-nitrobenzoic acid
CID 12571275
3-methyl-5-nitrophthalic acid
CID 18429286
2-methoxy-3,5-dinitrobenzoic acid
CID 606681
6-nitro-2-(trichloromethyl)quinoline-8-carboxylic acid
CID 154191333
2-hydroxy-3,5-dinitrobenzoic acid
CID 11873
3-carbamoyl-2-methyl-5-nitrobenzoic acid
CID 66586686
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
2-ethyl-5-nitrobenzene-1,3-dicarboxylic acid
CID 154119897
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
2,3-dimethoxy-5-nitrobenzoic acid
CID 12007954
8-methyl-6-nitro-2-propan-2-ylquinoline-4-carboxylic acid
CID 82184097
3-amino-2-methoxy-5-nitrobenzoic acid
CID 131861934

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid?
The IUPAC name of 2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid (CID 46707913) is 2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid is Cc1nc2cc([N+](=O)[O-])cc(C(=O)O)c2nc1C.
What is the InChIKey of 2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid?
The InChIKey is OQXVQYFEXHXXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c1-5-6(2)13-10-8(11(15)16)3-7(14(17)18)4-9(10)12-5/h3-4H,1-2H3,(H,15,16).
What are the key properties of 2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid?
2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 46707913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).