4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde

C12H8N2O4 — CID 797796

IUPAC4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C12H8N2O4/c15-8-9-1-4-11(5-2-9)18-12-6-3-10(7-13-12)14(16)17/h1-8H
InChIKeyAWEQCEQGLOPOFZ-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.59
Rot. Bonds4

About 4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde

4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde (PubChem CID 797796) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde.

Molecular Properties

Compound Name4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde
PubChem CID797796
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C12H8N2O4/c15-8-9-1-4-11(5-2-9)18-12-6-3-10(7-13-12)14(16)17/h1-8H
InChIKeyAWEQCEQGLOPOFZ-UHFFFAOYSA-N
XLogP2.59
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde?
The IUPAC name of 4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde (CID 797796) is 4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde.
What is the SMILES notation for 4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde?
The canonical SMILES for 4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde is O=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde?
The InChIKey is AWEQCEQGLOPOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-8-9-1-4-11(5-2-9)18-12-6-3-10(7-13-12)14(16)17/h1-8H.
What are the key properties of 4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde?
4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde has a molecular weight of 244.21 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde is sourced from PubChem (CID 797796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).