ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate

C10H8N4O5 — CID 177458218

IUPACethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate
SMILESCCOC(=O)/C(C#N)=N/Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H8N4O5/c1-2-18-10(15)8(5-11)13-19-9-4-3-7(6-12-9)14(16)17/h3-4,6H,2H2,1H3/b13-8+
InChIKeyWRWDGNMQMHYLRB-MDWZMJQESA-N
MW264.20 g/mol
LogP0.81
Rot. Bonds5

About ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate

ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate (PubChem CID 177458218) has the molecular formula C10H8N4O5 and a molecular weight of 264.20 g/mol. Its IUPAC name is ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate
PubChem CID177458218
Molecular FormulaC10H8N4O5
Molecular Weight264.20 g/mol
Exact Mass264.05
IUPAC Nameethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate
SMILESCCOC(=O)/C(C#N)=N/Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H8N4O5/c1-2-18-10(15)8(5-11)13-19-9-4-3-7(6-12-9)14(16)17/h3-4,6H,2H2,1H3/b13-8+
InChIKeyWRWDGNMQMHYLRB-MDWZMJQESA-N
XLogP0.81
TPSA127.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate?
The IUPAC name of ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate (CID 177458218) is ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate.
What is the SMILES notation for ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate?
The canonical SMILES for ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate is CCOC(=O)/C(C#N)=N/Oc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate?
The InChIKey is WRWDGNMQMHYLRB-MDWZMJQESA-N. The full InChI is InChI=1S/C10H8N4O5/c1-2-18-10(15)8(5-11)13-19-9-4-3-7(6-12-9)14(16)17/h3-4,6H,2H2,1H3/b13-8+.
What are the key properties of ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate?
ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate has a molecular weight of 264.20 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate is sourced from PubChem (CID 177458218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).