dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate

C12H15NO4 — CID 852577

IUPACdimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1C
InChIInChI=1S/C12H15NO4/c1-6-9(11(14)16-4)7(2)13-8(3)10(6)12(15)17-5/h1-5H3
InChIKeyGUVSSUPJUOAURM-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.58
Rot. Bonds2

About dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate

dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate (PubChem CID 852577) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate
PubChem CID852577
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namedimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1C
InChIInChI=1S/C12H15NO4/c1-6-9(11(14)16-4)7(2)13-8(3)10(6)12(15)17-5/h1-5H3
InChIKeyGUVSSUPJUOAURM-UHFFFAOYSA-N
XLogP1.58
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate (CID 852577) is dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate?
The InChIKey is GUVSSUPJUOAURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-6-9(11(14)16-4)7(2)13-8(3)10(6)12(15)17-5/h1-5H3.
What are the key properties of dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate?
dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,4,6-trimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 852577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).