ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate

C9H10N2O5 — CID 10059570

IUPACethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C9H10N2O5/c1-2-16-8(12)6-10-5-3-4-7(9(10)13)11(14)15/h3-5H,2,6H2,1H3
InChIKeyYUAVHQCGIUMCPH-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.32
Rot. Bonds4

About ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate

ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate (PubChem CID 10059570) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate
PubChem CID10059570
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Nameethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C9H10N2O5/c1-2-16-8(12)6-10-5-3-4-7(9(10)13)11(14)15/h3-5H,2,6H2,1H3
InChIKeyYUAVHQCGIUMCPH-UHFFFAOYSA-N
XLogP0.32
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.32
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 ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate (CID 10059570) is ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate is CCOC(=O)Cn1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate?
The InChIKey is YUAVHQCGIUMCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-2-16-8(12)6-10-5-3-4-7(9(10)13)11(14)15/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate?
ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate has a molecular weight of 226.19 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-nitro-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 10059570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).