3-ethoxy-5-fluoro-2,6-dinitropyridine

C7H6FN3O5 — CID 557649

IUPAC3-ethoxy-5-fluoro-2,6-dinitropyridine
SMILESCCOc1cc(F)c([N+](=O)[O-])nc1[N+](=O)[O-]
InChIInChI=1S/C7H6FN3O5/c1-2-16-5-3-4(8)6(10(12)13)9-7(5)11(14)15/h3H,2H2,1H3
InChIKeyUGJCAEIEYIPYLQ-UHFFFAOYSA-N
MW231.14 g/mol
LogP1.44
Rot. Bonds4

About 3-ethoxy-5-fluoro-2,6-dinitropyridine

3-ethoxy-5-fluoro-2,6-dinitropyridine (PubChem CID 557649) has the molecular formula C7H6FN3O5 and a molecular weight of 231.14 g/mol. Its IUPAC name is 3-ethoxy-5-fluoro-2,6-dinitropyridine.

Molecular Properties

Compound Name3-ethoxy-5-fluoro-2,6-dinitropyridine
PubChem CID557649
Molecular FormulaC7H6FN3O5
Molecular Weight231.14 g/mol
Exact Mass231.03
IUPAC Name3-ethoxy-5-fluoro-2,6-dinitropyridine
SMILESCCOc1cc(F)c([N+](=O)[O-])nc1[N+](=O)[O-]
InChIInChI=1S/C7H6FN3O5/c1-2-16-5-3-4(8)6(10(12)13)9-7(5)11(14)15/h3H,2H2,1H3
InChIKeyUGJCAEIEYIPYLQ-UHFFFAOYSA-N
XLogP1.44
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethoxy-5-fluoro-2,6-dinitropyridine?
The IUPAC name of 3-ethoxy-5-fluoro-2,6-dinitropyridine (CID 557649) is 3-ethoxy-5-fluoro-2,6-dinitropyridine.
What is the SMILES notation for 3-ethoxy-5-fluoro-2,6-dinitropyridine?
The canonical SMILES for 3-ethoxy-5-fluoro-2,6-dinitropyridine is CCOc1cc(F)c([N+](=O)[O-])nc1[N+](=O)[O-].
What is the InChIKey of 3-ethoxy-5-fluoro-2,6-dinitropyridine?
The InChIKey is UGJCAEIEYIPYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O5/c1-2-16-5-3-4(8)6(10(12)13)9-7(5)11(14)15/h3H,2H2,1H3.
What are the key properties of 3-ethoxy-5-fluoro-2,6-dinitropyridine?
3-ethoxy-5-fluoro-2,6-dinitropyridine has a molecular weight of 231.14 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-fluoro-2,6-dinitropyridine is sourced from PubChem (CID 557649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).