diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate

C14H19NO5 — CID 15660512

IUPACdiethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(C)c(C(=O)OCC)c(OCC)n1
InChIInChI=1S/C14H19NO5/c1-5-18-12-11(14(17)20-7-3)9(4)8-10(15-12)13(16)19-6-2/h8H,5-7H2,1-4H3
InChIKeyQYSUOEDDMTWXLU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.14
Rot. Bonds6

About diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate

diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate (PubChem CID 15660512) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate
PubChem CID15660512
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namediethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(C)c(C(=O)OCC)c(OCC)n1
InChIInChI=1S/C14H19NO5/c1-5-18-12-11(14(17)20-7-3)9(4)8-10(15-12)13(16)19-6-2/h8H,5-7H2,1-4H3
InChIKeyQYSUOEDDMTWXLU-UHFFFAOYSA-N
XLogP2.14
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethoxy-4-(methoxymethyl)-6-methylpyridine-3-carboxamide
CID 1508121
4-(Methoxymethyl)-6-methyl-2-propoxynicotinamide
CID 5295327
Methyl 2-methoxy-6-methylpyridine-3-carboxylate
CID 10910170
2-Methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
2-Ethoxy-6-methylpyridine-3-carboxamide
CID 129934981
3-Pyridinecarboxylic acid, 6-(2-(diethylamino)ethoxy)-2,4-dimethyl-, ethyl ester
CID 205797
Nicotinic acid, 6-(2-diethylaminoethoxy)-2,4-dimethyl-, ethyl ester, hydrochloride
CID 3058508
Ethyl 6-ethoxypicolinate
CID 53393170
2-Ethoxy-6-methylpyridine-3-carboxylic acid
CID 62701541
Ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate
CID 118617535
Dimethyl 6-methoxyquinolinate
CID 614472
2-(Cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 62382414

Frequently Asked Questions

What is the IUPAC name of diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate?
The IUPAC name of diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate (CID 15660512) is diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate?
The canonical SMILES for diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate is CCOC(=O)c1cc(C)c(C(=O)OCC)c(OCC)n1.
What is the InChIKey of diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate?
The InChIKey is QYSUOEDDMTWXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-5-18-12-11(14(17)20-7-3)9(4)8-10(15-12)13(16)19-6-2/h8H,5-7H2,1-4H3.
What are the key properties of diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate?
diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate is sourced from PubChem (CID 15660512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).