ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate

C13H18N2O3 — CID 170992705

IUPACethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate
SMILESCCON=Cc1cc(C(=O)OCC)cc(CC)n1
InChIInChI=1S/C13H18N2O3/c1-4-11-7-10(13(16)17-5-2)8-12(15-11)9-14-18-6-3/h7-9H,4-6H2,1-3H3
InChIKeyZLYFWWKLEOBAJY-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.19
Rot. Bonds6

About ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate

ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate (PubChem CID 170992705) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate
PubChem CID170992705
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate
SMILESCCON=Cc1cc(C(=O)OCC)cc(CC)n1
InChIInChI=1S/C13H18N2O3/c1-4-11-7-10(13(16)17-5-2)8-12(15-11)9-14-18-6-3/h7-9H,4-6H2,1-3H3
InChIKeyZLYFWWKLEOBAJY-UHFFFAOYSA-N
XLogP2.19
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 3,5-bis(aminomethyl)benzoate
CID 174906778
diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate
CID 162343069
ethyl 2-ethoxyphosphanyl-6-(hydroxymethyl)pyridine-4-carboxylate
CID 142495765
ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
CID 131747122
ethyl 3,4,5-trichlorobenzoate
CID 14692896
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
ethyl 4-[[2-[(4-chlorophenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 2128037
3-(5-ethoxycarbonyl-3-pyridinyl)prop-2-enoic acid
CID 169460847
ethyl 5-ethenyl-6-ethylpyridine-3-carboxylate
CID 169260890
diethyl benzene-1,3-dicarboxylate
CID 12491

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate (CID 170992705) is ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate is CCON=Cc1cc(C(=O)OCC)cc(CC)n1.
What is the InChIKey of ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate?
The InChIKey is ZLYFWWKLEOBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-11-7-10(13(16)17-5-2)8-12(15-11)9-14-18-6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate?
ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxyiminomethyl)-6-ethylpyridine-4-carboxylate is sourced from PubChem (CID 170992705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).