ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate

C10H12N2O5 — CID 84570724

IUPACethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O
InChIInChI=1S/C10H12N2O5/c1-3-17-9(13)6-11-5-8(12(15)16)4-7(2)10(11)14/h4-5H,3,6H2,1-2H3
InChIKeyOXOUOCQYTUAYQN-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.63
Rot. Bonds4

About ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate

ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate (PubChem CID 84570724) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
PubChem CID84570724
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Nameethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O
InChIInChI=1S/C10H12N2O5/c1-3-17-9(13)6-11-5-8(12(15)16)4-7(2)10(11)14/h4-5H,3,6H2,1-2H3
InChIKeyOXOUOCQYTUAYQN-UHFFFAOYSA-N
XLogP0.63
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.63
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-methyl-5-nitro-2-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate (CID 84570724) is ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate is CCOC(=O)Cn1cc([N+](=O)[O-])cc(C)c1=O.
What is the InChIKey of ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate?
The InChIKey is OXOUOCQYTUAYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-3-17-9(13)6-11-5-8(12(15)16)4-7(2)10(11)14/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate?
ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate has a molecular weight of 240.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 84570724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).