ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate

C14H19NO4 — CID 13349595

IUPACethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate
SMILESCCOC(=O)Cc1cc(C)c(C)nc1C(=O)OCC
InChIInChI=1S/C14H19NO4/c1-5-18-12(16)8-11-7-9(3)10(4)15-13(11)14(17)19-6-2/h7H,5-6,8H2,1-4H3
InChIKeyVNFBIQXSRCDMCP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.98
Rot. Bonds5

About ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate

ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate (PubChem CID 13349595) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate
PubChem CID13349595
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate
SMILESCCOC(=O)Cc1cc(C)c(C)nc1C(=O)OCC
InChIInChI=1S/C14H19NO4/c1-5-18-12(16)8-11-7-9(3)10(4)15-13(11)14(17)19-6-2/h7H,5-6,8H2,1-4H3
InChIKeyVNFBIQXSRCDMCP-UHFFFAOYSA-N
XLogP1.98
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 102243359
ethyl 2-(5-carbamoyl-2,6-dimethyl-3-pyridinyl)acetate
CID 151319204
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate
CID 86662985
ethyl 2-(4-bromo-2-iodo-5-methylphenyl)acetate
CID 171563647
ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133102899
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065
ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate
CID 133098009
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 5-formyl-3-methylpyridine-2-carboxylate
CID 145295306
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
diethyl 6-methyl-5-nitropyridine-2,3-dicarboxylate
CID 18937855

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate?
The IUPAC name of ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate (CID 13349595) is ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate is CCOC(=O)Cc1cc(C)c(C)nc1C(=O)OCC.
What is the InChIKey of ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate?
The InChIKey is VNFBIQXSRCDMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-18-12(16)8-11-7-9(3)10(4)15-13(11)14(17)19-6-2/h7H,5-6,8H2,1-4H3.
What are the key properties of ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate?
ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate is sourced from PubChem (CID 13349595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).