triethyl pyridin-2-ylmethanetricarboxylate

C15H19NO6 — CID 102130107

IUPACtriethyl pyridin-2-ylmethanetricarboxylate
SMILESCCOC(=O)C(C(=O)OCC)(C(=O)OCC)c1ccccn1
InChIInChI=1S/C15H19NO6/c1-4-20-12(17)15(13(18)21-5-2,14(19)22-6-3)11-9-7-8-10-16-11/h7-10H,4-6H2,1-3H3
InChIKeyUDDXWQALTGROLU-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.01
Rot. Bonds7

About triethyl pyridin-2-ylmethanetricarboxylate

triethyl pyridin-2-ylmethanetricarboxylate (PubChem CID 102130107) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is triethyl pyridin-2-ylmethanetricarboxylate.

Molecular Properties

Compound Nametriethyl pyridin-2-ylmethanetricarboxylate
PubChem CID102130107
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Nametriethyl pyridin-2-ylmethanetricarboxylate
SMILESCCOC(=O)C(C(=O)OCC)(C(=O)OCC)c1ccccn1
InChIInChI=1S/C15H19NO6/c1-4-20-12(17)15(13(18)21-5-2,14(19)22-6-3)11-9-7-8-10-16-11/h7-10H,4-6H2,1-3H3
InChIKeyUDDXWQALTGROLU-UHFFFAOYSA-N
XLogP1.01
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate
CID 83853858
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 124644619
ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate
CID 174613279
ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate
CID 59570548
diethyl 2-ethyl-2-(pyridin-2-ylmethyl)propanedioate
CID 103973006
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate
CID 66189843
ethyl pyridine-2-carboxylate
CID 17307
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate
CID 54036342
ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate
CID 122372494

Frequently Asked Questions

What is the IUPAC name of triethyl pyridin-2-ylmethanetricarboxylate?
The IUPAC name of triethyl pyridin-2-ylmethanetricarboxylate (CID 102130107) is triethyl pyridin-2-ylmethanetricarboxylate.
What is the SMILES notation for triethyl pyridin-2-ylmethanetricarboxylate?
The canonical SMILES for triethyl pyridin-2-ylmethanetricarboxylate is CCOC(=O)C(C(=O)OCC)(C(=O)OCC)c1ccccn1.
What is the InChIKey of triethyl pyridin-2-ylmethanetricarboxylate?
The InChIKey is UDDXWQALTGROLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c1-4-20-12(17)15(13(18)21-5-2,14(19)22-6-3)11-9-7-8-10-16-11/h7-10H,4-6H2,1-3H3.
What are the key properties of triethyl pyridin-2-ylmethanetricarboxylate?
triethyl pyridin-2-ylmethanetricarboxylate has a molecular weight of 309.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl pyridin-2-ylmethanetricarboxylate is sourced from PubChem (CID 102130107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).