2-[(5-nitro-2-pyridinyl)oxy]ethanol

C7H8N2O4 — CID 587937

IUPAC2-[(5-nitro-2-pyridinyl)oxy]ethanol
SMILESO=[N+]([O-])c1ccc(OCCO)nc1
InChIInChI=1S/C7H8N2O4/c10-3-4-13-7-2-1-6(5-8-7)9(11)12/h1-2,5,10H,3-4H2
InChIKeyKESQFSZFUCZCEI-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.36
Rot. Bonds4

About 2-[(5-nitro-2-pyridinyl)oxy]ethanol

2-[(5-nitro-2-pyridinyl)oxy]ethanol (PubChem CID 587937) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)oxy]ethanol.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)oxy]ethanol
PubChem CID587937
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-[(5-nitro-2-pyridinyl)oxy]ethanol
SMILESO=[N+]([O-])c1ccc(OCCO)nc1
InChIInChI=1S/C7H8N2O4/c10-3-4-13-7-2-1-6(5-8-7)9(11)12/h1-2,5,10H,3-4H2
InChIKeyKESQFSZFUCZCEI-UHFFFAOYSA-N
XLogP0.36
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.36
H-Bond Donors ≤ 51
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 2-[(5-nitro-2-pyridinyl)oxy]ethanol?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)oxy]ethanol (CID 587937) is 2-[(5-nitro-2-pyridinyl)oxy]ethanol.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)oxy]ethanol?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)oxy]ethanol is O=[N+]([O-])c1ccc(OCCO)nc1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)oxy]ethanol?
The InChIKey is KESQFSZFUCZCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-3-4-13-7-2-1-6(5-8-7)9(11)12/h1-2,5,10H,3-4H2.
What are the key properties of 2-[(5-nitro-2-pyridinyl)oxy]ethanol?
2-[(5-nitro-2-pyridinyl)oxy]ethanol has a molecular weight of 184.15 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)oxy]ethanol is sourced from PubChem (CID 587937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).