ethyl 2-hydroxyimino-2-pyridin-2-ylacetate

C9H10N2O3 — CID 135543845

IUPACethyl 2-hydroxyimino-2-pyridin-2-ylacetate
SMILESCCOC(=O)C(=NO)c1ccccn1
InChIInChI=1S/C9H10N2O3/c1-2-14-9(12)8(11-13)7-5-3-4-6-10-7/h3-6,13H,2H2,1H3
InChIKeyYGQZRRVGGCVMQR-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.82
Rot. Bonds3

About ethyl 2-hydroxyimino-2-pyridin-2-ylacetate

ethyl 2-hydroxyimino-2-pyridin-2-ylacetate (PubChem CID 135543845) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is ethyl 2-hydroxyimino-2-pyridin-2-ylacetate.

Molecular Properties

Compound Nameethyl 2-hydroxyimino-2-pyridin-2-ylacetate
PubChem CID135543845
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Nameethyl 2-hydroxyimino-2-pyridin-2-ylacetate
SMILESCCOC(=O)C(=NO)c1ccccn1
InChIInChI=1S/C9H10N2O3/c1-2-14-9(12)8(11-13)7-5-3-4-6-10-7/h3-6,13H,2H2,1H3
InChIKeyYGQZRRVGGCVMQR-UHFFFAOYSA-N
XLogP0.82
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 ethyl 2-hydroxyimino-2-pyridin-2-ylacetate?
The IUPAC name of ethyl 2-hydroxyimino-2-pyridin-2-ylacetate (CID 135543845) is ethyl 2-hydroxyimino-2-pyridin-2-ylacetate.
What is the SMILES notation for ethyl 2-hydroxyimino-2-pyridin-2-ylacetate?
The canonical SMILES for ethyl 2-hydroxyimino-2-pyridin-2-ylacetate is CCOC(=O)C(=NO)c1ccccn1.
What is the InChIKey of ethyl 2-hydroxyimino-2-pyridin-2-ylacetate?
The InChIKey is YGQZRRVGGCVMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-14-9(12)8(11-13)7-5-3-4-6-10-7/h3-6,13H,2H2,1H3.
What are the key properties of ethyl 2-hydroxyimino-2-pyridin-2-ylacetate?
ethyl 2-hydroxyimino-2-pyridin-2-ylacetate has a molecular weight of 194.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxyimino-2-pyridin-2-ylacetate is sourced from PubChem (CID 135543845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).