ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate

C14H19NO5 — CID 154810037

IUPACethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate
SMILESCCOC(=O)Cc1nc(COC)ccc1C(=O)OCC
InChIInChI=1S/C14H19NO5/c1-4-19-13(16)8-12-11(14(17)20-5-2)7-6-10(15-12)9-18-3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyXIDJWNPOGSLPSJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.51
Rot. Bonds7

About ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate

ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate (PubChem CID 154810037) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate
PubChem CID154810037
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nameethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate
SMILESCCOC(=O)Cc1nc(COC)ccc1C(=O)OCC
InChIInChI=1S/C14H19NO5/c1-4-19-13(16)8-12-11(14(17)20-5-2)7-6-10(15-12)9-18-3/h6-7H,4-5,8-9H2,1-3H3
InChIKeyXIDJWNPOGSLPSJ-UHFFFAOYSA-N
XLogP1.51
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-(methoxymethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601804
ethyl 2-(methoxymethyl)-4-methylbenzoate
CID 177243717
diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
CID 141473681
ethyl 4-bromo-2-(methoxymethyl)benzoate
CID 141482166
methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate
CID 71758644
ethyl 2-[6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134672914
ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate
CID 168845716
ethyl 6-amino-2-fluoropyridine-3-carboxylate
CID 118545226
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134669121
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 6-cyano-2-ethylpyridine-3-carboxylate
CID 141150899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate (CID 154810037) is ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate is CCOC(=O)Cc1nc(COC)ccc1C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate?
The InChIKey is XIDJWNPOGSLPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-19-13(16)8-12-11(14(17)20-5-2)7-6-10(15-12)9-18-3/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate?
ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-oxoethyl)-6-(methoxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 154810037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).