methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate

C10H12N2O4 — CID 88921357

IUPACmethyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate
SMILESCOC(=O)COc1ccc(CC=NO)cn1
InChIInChI=1S/C10H12N2O4/c1-15-10(13)7-16-9-3-2-8(6-11-9)4-5-12-14/h2-3,5-6,14H,4,7H2,1H3
InChIKeySNALTYNUEZBHSH-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.64
Rot. Bonds5

About methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate

methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate (PubChem CID 88921357) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate
PubChem CID88921357
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate
SMILESCOC(=O)COc1ccc(CC=NO)cn1
InChIInChI=1S/C10H12N2O4/c1-15-10(13)7-16-9-3-2-8(6-11-9)4-5-12-14/h2-3,5-6,14H,4,7H2,1H3
InChIKeySNALTYNUEZBHSH-UHFFFAOYSA-N
XLogP0.64
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine
CID 123279299
methyl 2-[(5-bromo-2-pyridinyl)oxy]acetate
CID 67448774
methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate
CID 18619218
methyl 2-pyridin-2-yloxyacetate
CID 45091085
2-[4-(2-hydroxyiminoethyl)phenyl]acetaldehyde
CID 140967337
methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate
CID 123951100
methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate
CID 15980958
2-[[5-[3-[(4-methoxyphenyl)methoxyimino]propyl]-2-pyridinyl]oxy]acetic acid
CID 88921453
2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921479
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
CID 67377849
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate?
The IUPAC name of methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate (CID 88921357) is methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate.
What is the SMILES notation for methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate?
The canonical SMILES for methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate is COC(=O)COc1ccc(CC=NO)cn1.
What is the InChIKey of methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate?
The InChIKey is SNALTYNUEZBHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-10(13)7-16-9-3-2-8(6-11-9)4-5-12-14/h2-3,5-6,14H,4,7H2,1H3.
What are the key properties of methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate?
methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate has a molecular weight of 224.22 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 88921357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).