3-nitro-4-(oxetan-3-yloxy)pyridine

C8H8N2O4 — CID 90409320

IUPAC3-nitro-4-(oxetan-3-yloxy)pyridine
SMILESO=[N+]([O-])c1cnccc1OC1COC1
InChIInChI=1S/C8H8N2O4/c11-10(12)7-3-9-2-1-8(7)14-6-4-13-5-6/h1-3,6H,4-5H2
InChIKeyLTSGUVVVNPRRGT-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.77
Rot. Bonds3

About 3-nitro-4-(oxetan-3-yloxy)pyridine

3-nitro-4-(oxetan-3-yloxy)pyridine (PubChem CID 90409320) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 3-nitro-4-(oxetan-3-yloxy)pyridine.

Molecular Properties

Compound Name3-nitro-4-(oxetan-3-yloxy)pyridine
PubChem CID90409320
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name3-nitro-4-(oxetan-3-yloxy)pyridine
SMILESO=[N+]([O-])c1cnccc1OC1COC1
InChIInChI=1S/C8H8N2O4/c11-10(12)7-3-9-2-1-8(7)14-6-4-13-5-6/h1-3,6H,4-5H2
InChIKeyLTSGUVVVNPRRGT-UHFFFAOYSA-N
XLogP0.77
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.77
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(oxetan-3-yloxy)pyridine?
The IUPAC name of 3-nitro-4-(oxetan-3-yloxy)pyridine (CID 90409320) is 3-nitro-4-(oxetan-3-yloxy)pyridine.
What is the SMILES notation for 3-nitro-4-(oxetan-3-yloxy)pyridine?
The canonical SMILES for 3-nitro-4-(oxetan-3-yloxy)pyridine is O=[N+]([O-])c1cnccc1OC1COC1.
What is the InChIKey of 3-nitro-4-(oxetan-3-yloxy)pyridine?
The InChIKey is LTSGUVVVNPRRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-10(12)7-3-9-2-1-8(7)14-6-4-13-5-6/h1-3,6H,4-5H2.
What are the key properties of 3-nitro-4-(oxetan-3-yloxy)pyridine?
3-nitro-4-(oxetan-3-yloxy)pyridine has a molecular weight of 196.16 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(oxetan-3-yloxy)pyridine is sourced from PubChem (CID 90409320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).