1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol

C11H16N2O3 — CID 173318346

IUPAC1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol
SMILESCCOc1ccc(C(C)=NOC(C)O)cn1
InChIInChI=1S/C11H16N2O3/c1-4-15-11-6-5-10(7-12-11)8(2)13-16-9(3)14/h5-7,9,14H,4H2,1-3H3
InChIKeyUVGOQZXRXZBZNW-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.56
Rot. Bonds5

About 1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol

1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol (PubChem CID 173318346) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol.

Molecular Properties

Compound Name1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol
PubChem CID173318346
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol
SMILESCCOc1ccc(C(C)=NOC(C)O)cn1
InChIInChI=1S/C11H16N2O3/c1-4-15-11-6-5-10(7-12-11)8(2)13-16-9(3)14/h5-7,9,14H,4H2,1-3H3
InChIKeyUVGOQZXRXZBZNW-UHFFFAOYSA-N
XLogP1.56
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-2-[[5-[(E)-N-[(4-ethoxyphenyl)methoxy]-C-methylcarbonimidoyl]-2-pyridinyl]oxy]ethanimidamide
CID 134388914
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 94034384
(6-ethoxy-3-pyridinyl)methanol
CID 10630706
2-ethoxy-5-propylpyridine
CID 57169031
(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol
CID 145499112
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
6-[(2R)-2-hydroxypropoxy]pyridine-3-carboxylic acid
CID 97034220
(NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide
CID 156776974
N-methoxy-1-[6-[(5-methyl-1H-1,2,4-triazol-3-yl)methoxy]-3-pyridinyl]ethanimine
CID 123281807
5-chloro-2-ethoxypyridine
CID 4738274
2-(6-ethoxy-3-pyridinyl)pyrimidine-5-carboxylic acid
CID 71093777

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol?
The IUPAC name of 1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol (CID 173318346) is 1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol.
What is the SMILES notation for 1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol?
The canonical SMILES for 1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol is CCOc1ccc(C(C)=NOC(C)O)cn1.
What is the InChIKey of 1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol?
The InChIKey is UVGOQZXRXZBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-15-11-6-5-10(7-12-11)8(2)13-16-9(3)14/h5-7,9,14H,4H2,1-3H3.
What are the key properties of 1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol?
1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol has a molecular weight of 224.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-ethoxy-3-pyridinyl)ethylideneamino]oxyethanol is sourced from PubChem (CID 173318346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).