2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid

C9H10N2O3 — CID 104823667

IUPAC2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid
SMILESCc1ccc(/C=N/OCC(=O)O)cn1
InChIInChI=1S/C9H10N2O3/c1-7-2-3-8(4-10-7)5-11-14-6-9(12)13/h2-5H,6H2,1H3,(H,12,13)/b11-5+
InChIKeyUFGSROLIZAVMAI-VZUCSPMQSA-N
MW194.19 g/mol
LogP0.83
Rot. Bonds4

About 2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid

2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid (PubChem CID 104823667) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid
PubChem CID104823667
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid
SMILESCc1ccc(/C=N/OCC(=O)O)cn1
InChIInChI=1S/C9H10N2O3/c1-7-2-3-8(4-10-7)5-11-14-6-9(12)13/h2-5H,6H2,1H3,(H,12,13)/b11-5+
InChIKeyUFGSROLIZAVMAI-VZUCSPMQSA-N
XLogP0.83
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 ≤ 50.83
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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Related Compounds

2-[(4-acetamidophenyl)methylideneamino]oxyacetic acid
CID 77013496
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid
CID 77013169
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552
2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid
CID 77013461
2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid
CID 104771692
2-[(5-methylfuran-2-yl)methylideneamino]oxyacetic acid
CID 77013391
2-[(E)-(3-chloro-4-fluorophenyl)methylideneamino]oxyacetic acid
CID 81159898
2-[(4-imidazol-1-ylphenyl)methylideneamino]oxyacetic acid
CID 77013453
2-(pyrimidin-4-ylmethylideneamino)oxyacetic acid
CID 77014531
2-[(2-phenyltriazol-4-yl)methylideneamino]oxyacetic acid
CID 77013475
dimethyl 2-[(6-methyl-3-pyridinyl)methylidene]propanedioate
CID 138963152
2-[(E)-(6-methoxy-2-pyridinyl)methylideneamino]oxyacetic acid
CID 103348517

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid (CID 104823667) is 2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid is Cc1ccc(/C=N/OCC(=O)O)cn1.
What is the InChIKey of 2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid?
The InChIKey is UFGSROLIZAVMAI-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-7-2-3-8(4-10-7)5-11-14-6-9(12)13/h2-5H,6H2,1H3,(H,12,13)/b11-5+.
What are the key properties of 2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid?
2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(6-methyl-3-pyridinyl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 104823667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).