6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C7H3N5O6 — CID 10848460

IUPAC6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])nc2[nH]c1=O
InChIInChI=1S/C7H3N5O6/c13-6-7(14)10-4-2(8-6)1-3(11(15)16)5(9-4)12(17)18/h1H,(H,8,13)(H,9,10,14)
InChIKeyGDBMNBXUUXVCIS-UHFFFAOYSA-N
MW253.13 g/mol
LogP-0.57
Rot. Bonds2

About 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 10848460) has the molecular formula C7H3N5O6 and a molecular weight of 253.13 g/mol. Its IUPAC name is 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID10848460
Molecular FormulaC7H3N5O6
Molecular Weight253.13 g/mol
Exact Mass253.01
IUPAC Name6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])nc2[nH]c1=O
InChIInChI=1S/C7H3N5O6/c13-6-7(14)10-4-2(8-6)1-3(11(15)16)5(9-4)12(17)18/h1H,(H,8,13)(H,9,10,14)
InChIKeyGDBMNBXUUXVCIS-UHFFFAOYSA-N
XLogP-0.57
TPSA164.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 10848460) is 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])nc2[nH]c1=O.
What is the InChIKey of 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is GDBMNBXUUXVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N5O6/c13-6-7(14)10-4-2(8-6)1-3(11(15)16)5(9-4)12(17)18/h1H,(H,8,13)(H,9,10,14).
What are the key properties of 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 253.13 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 10848460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).