ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate

C10H11N3O4 — CID 172551439

IUPACethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate
SMILESCCOC(=O)/C(=N/O)NC(=O)c1ccccn1
InChIInChI=1S/C10H11N3O4/c1-2-17-10(15)8(13-16)12-9(14)7-5-3-4-6-11-7/h3-6,16H,2H2,1H3,(H,12,13,14)
InChIKeyCULOOGCQYYSCGB-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.16
Rot. Bonds2

About ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate

ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate (PubChem CID 172551439) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate
PubChem CID172551439
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Nameethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate
SMILESCCOC(=O)/C(=N/O)NC(=O)c1ccccn1
InChIInChI=1S/C10H11N3O4/c1-2-17-10(15)8(13-16)12-9(14)7-5-3-4-6-11-7/h3-6,16H,2H2,1H3,(H,12,13,14)
InChIKeyCULOOGCQYYSCGB-UHFFFAOYSA-N
XLogP0.16
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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acetic acid;N-ethylpyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate?
The IUPAC name of ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate (CID 172551439) is ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate.
What is the SMILES notation for ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate?
The canonical SMILES for ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate is CCOC(=O)/C(=N/O)NC(=O)c1ccccn1.
What is the InChIKey of ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate?
The InChIKey is CULOOGCQYYSCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-2-17-10(15)8(13-16)12-9(14)7-5-3-4-6-11-7/h3-6,16H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate?
ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate has a molecular weight of 237.22 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-hydroxyimino-2-(pyridine-2-carbonylamino)acetate is sourced from PubChem (CID 172551439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).