4-ethoxy-3-nitro-1H-pyridin-2-one

C7H8N2O4 — CID 167456607

IUPAC4-ethoxy-3-nitro-1H-pyridin-2-one
SMILESCCOc1cc[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O4/c1-2-13-5-3-4-8-7(10)6(5)9(11)12/h3-4H,2H2,1H3,(H,8,10)
InChIKeyQBXWHUBHMQJKMO-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.68
Rot. Bonds3

About 4-ethoxy-3-nitro-1H-pyridin-2-one

4-ethoxy-3-nitro-1H-pyridin-2-one (PubChem CID 167456607) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 4-ethoxy-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-3-nitro-1H-pyridin-2-one
PubChem CID167456607
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name4-ethoxy-3-nitro-1H-pyridin-2-one
SMILESCCOc1cc[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O4/c1-2-13-5-3-4-8-7(10)6(5)9(11)12/h3-4H,2H2,1H3,(H,8,10)
InChIKeyQBXWHUBHMQJKMO-UHFFFAOYSA-N
XLogP0.68
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-ethoxy-3-nitro-1H-pyridin-2-one?
The IUPAC name of 4-ethoxy-3-nitro-1H-pyridin-2-one (CID 167456607) is 4-ethoxy-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 4-ethoxy-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 4-ethoxy-3-nitro-1H-pyridin-2-one is CCOc1cc[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-3-nitro-1H-pyridin-2-one?
The InChIKey is QBXWHUBHMQJKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-13-5-3-4-8-7(10)6(5)9(11)12/h3-4H,2H2,1H3,(H,8,10).
What are the key properties of 4-ethoxy-3-nitro-1H-pyridin-2-one?
4-ethoxy-3-nitro-1H-pyridin-2-one has a molecular weight of 184.15 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 167456607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).