3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium

C7H7N3O7 — CID 3568732

IUPAC3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium
SMILESCOc1cc(OC)c([N+](=O)[O-])[n+]([O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O7/c1-16-4-3-5(17-2)7(10(14)15)8(11)6(4)9(12)13/h3H,1-2H3
InChIKeyUUMMQMPPSRPJKK-UHFFFAOYSA-N
MW245.15 g/mol
LogP0.15
Rot. Bonds4

About 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium

3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium (PubChem CID 3568732) has the molecular formula C7H7N3O7 and a molecular weight of 245.15 g/mol. Its IUPAC name is 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium
PubChem CID3568732
Molecular FormulaC7H7N3O7
Molecular Weight245.15 g/mol
Exact Mass245.03
IUPAC Name3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium
SMILESCOc1cc(OC)c([N+](=O)[O-])[n+]([O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O7/c1-16-4-3-5(17-2)7(10(14)15)8(11)6(4)9(12)13/h3H,1-2H3
InChIKeyUUMMQMPPSRPJKK-UHFFFAOYSA-N
XLogP0.15
TPSA131.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium?
The IUPAC name of 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium (CID 3568732) is 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium.
What is the SMILES notation for 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium?
The canonical SMILES for 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium is COc1cc(OC)c([N+](=O)[O-])[n+]([O-])c1[N+](=O)[O-].
What is the InChIKey of 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium?
The InChIKey is UUMMQMPPSRPJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O7/c1-16-4-3-5(17-2)7(10(14)15)8(11)6(4)9(12)13/h3H,1-2H3.
What are the key properties of 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium?
3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium has a molecular weight of 245.15 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2,6-dinitro-1-oxidopyridin-1-ium is sourced from PubChem (CID 3568732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).