dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate

C12H15NO5 — CID 164905081

IUPACdimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)n(C)c(C)c(C(=O)OC)c1=O
InChIInChI=1S/C12H15NO5/c1-6-8(11(15)17-4)10(14)9(12(16)18-5)7(2)13(6)3/h1-5H3
InChIKeyPAXMBKVWJGBJEX-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.58
Rot. Bonds2

About dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate

dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate (PubChem CID 164905081) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate
PubChem CID164905081
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namedimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)n(C)c(C)c(C(=O)OC)c1=O
InChIInChI=1S/C12H15NO5/c1-6-8(11(15)17-4)10(14)9(12(16)18-5)7(2)13(6)3/h1-5H3
InChIKeyPAXMBKVWJGBJEX-UHFFFAOYSA-N
XLogP0.58
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate (CID 164905081) is dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate is COC(=O)c1c(C)n(C)c(C)c(C(=O)OC)c1=O.
What is the InChIKey of dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate?
The InChIKey is PAXMBKVWJGBJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-6-8(11(15)17-4)10(14)9(12(16)18-5)7(2)13(6)3/h1-5H3.
What are the key properties of dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate?
dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate has a molecular weight of 253.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate is sourced from PubChem (CID 164905081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).