2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid

C9H10N2O4 — CID 103348517

IUPAC2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid
SMILESCOc1cccc(/C=N/OCC(=O)O)n1
InChIInChI=1S/C9H10N2O4/c1-14-8-4-2-3-7(11-8)5-10-15-6-9(12)13/h2-5H,6H2,1H3,(H,12,13)/b10-5+
InChIKeyIKXLKBJMRMSDLZ-BJMVGYQFSA-N
MW210.19 g/mol
LogP0.53
Rot. Bonds5

About 2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid

2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid (PubChem CID 103348517) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid
PubChem CID103348517
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid
SMILESCOc1cccc(/C=N/OCC(=O)O)n1
InChIInChI=1S/C9H10N2O4/c1-14-8-4-2-3-7(11-8)5-10-15-6-9(12)13/h2-5H,6H2,1H3,(H,12,13)/b10-5+
InChIKeyIKXLKBJMRMSDLZ-BJMVGYQFSA-N
XLogP0.53
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid (CID 103348517) is 2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid is COc1cccc(/C=N/OCC(=O)O)n1.
What is the InChIKey of 2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid?
The InChIKey is IKXLKBJMRMSDLZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-14-8-4-2-3-7(11-8)5-10-15-6-9(12)13/h2-5H,6H2,1H3,(H,12,13)/b10-5+.
What are the key properties of 2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid?
2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid has a molecular weight of 210.19 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 103348517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).