2-(1-pyridin-4-ylethylideneamino)oxyacetic acid

C9H10N2O3 — CID 77013247

IUPAC2-(1-pyridin-4-ylethylideneamino)oxyacetic acid
SMILESCC(=NOCC(=O)O)c1ccncc1
InChIInChI=1S/C9H10N2O3/c1-7(11-14-6-9(12)13)8-2-4-10-5-3-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyGYEXXIKBWZTRCE-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.91
Rot. Bonds4

About 2-(1-pyridin-4-ylethylideneamino)oxyacetic acid

2-(1-pyridin-4-ylethylideneamino)oxyacetic acid (PubChem CID 77013247) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(1-pyridin-4-ylethylideneamino)oxyacetic acid.

Molecular Properties

Compound Name2-(1-pyridin-4-ylethylideneamino)oxyacetic acid
PubChem CID77013247
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(1-pyridin-4-ylethylideneamino)oxyacetic acid
SMILESCC(=NOCC(=O)O)c1ccncc1
InChIInChI=1S/C9H10N2O3/c1-7(11-14-6-9(12)13)8-2-4-10-5-3-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyGYEXXIKBWZTRCE-UHFFFAOYSA-N
XLogP0.91
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-pyridin-4-ylethylideneamino)oxyacetic acid?
The IUPAC name of 2-(1-pyridin-4-ylethylideneamino)oxyacetic acid (CID 77013247) is 2-(1-pyridin-4-ylethylideneamino)oxyacetic acid.
What is the SMILES notation for 2-(1-pyridin-4-ylethylideneamino)oxyacetic acid?
The canonical SMILES for 2-(1-pyridin-4-ylethylideneamino)oxyacetic acid is CC(=NOCC(=O)O)c1ccncc1.
What is the InChIKey of 2-(1-pyridin-4-ylethylideneamino)oxyacetic acid?
The InChIKey is GYEXXIKBWZTRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-7(11-14-6-9(12)13)8-2-4-10-5-3-8/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-(1-pyridin-4-ylethylideneamino)oxyacetic acid?
2-(1-pyridin-4-ylethylideneamino)oxyacetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-4-ylethylideneamino)oxyacetic acid is sourced from PubChem (CID 77013247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).