3,5-dimethoxy-2,6-dinitropyridine

C7H7N3O6 — CID 3737763

IUPAC3,5-dimethoxy-2,6-dinitropyridine
SMILESCOc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O6/c1-15-4-3-5(16-2)7(10(13)14)8-6(4)9(11)12/h3H,1-2H3
InChIKeyGSOCTSPEYIATME-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.92
Rot. Bonds4

About 3,5-dimethoxy-2,6-dinitropyridine

3,5-dimethoxy-2,6-dinitropyridine (PubChem CID 3737763) has the molecular formula C7H7N3O6 and a molecular weight of 229.15 g/mol. Its IUPAC name is 3,5-dimethoxy-2,6-dinitropyridine.

Molecular Properties

Compound Name3,5-dimethoxy-2,6-dinitropyridine
PubChem CID3737763
Molecular FormulaC7H7N3O6
Molecular Weight229.15 g/mol
Exact Mass229.03
IUPAC Name3,5-dimethoxy-2,6-dinitropyridine
SMILESCOc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O6/c1-15-4-3-5(16-2)7(10(13)14)8-6(4)9(11)12/h3H,1-2H3
InChIKeyGSOCTSPEYIATME-UHFFFAOYSA-N
XLogP0.92
TPSA117.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 3,5-dimethoxy-2,6-dinitropyridine?
The IUPAC name of 3,5-dimethoxy-2,6-dinitropyridine (CID 3737763) is 3,5-dimethoxy-2,6-dinitropyridine.
What is the SMILES notation for 3,5-dimethoxy-2,6-dinitropyridine?
The canonical SMILES for 3,5-dimethoxy-2,6-dinitropyridine is COc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-].
What is the InChIKey of 3,5-dimethoxy-2,6-dinitropyridine?
The InChIKey is GSOCTSPEYIATME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O6/c1-15-4-3-5(16-2)7(10(13)14)8-6(4)9(11)12/h3H,1-2H3.
What are the key properties of 3,5-dimethoxy-2,6-dinitropyridine?
3,5-dimethoxy-2,6-dinitropyridine has a molecular weight of 229.15 g/mol, XLogP of 0.92, 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-dinitropyridine is sourced from PubChem (CID 3737763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).