tetramethyl pyridine-2,3,5,6-tetracarboxylate

C13H13NO8 — CID 767414

IUPACtetramethyl pyridine-2,3,5,6-tetracarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC
InChIInChI=1S/C13H13NO8/c1-19-10(15)6-5-7(11(16)20-2)9(13(18)22-4)14-8(6)12(17)21-3/h5H,1-4H3
InChIKeyFRNKWNJKUPKZOW-UHFFFAOYSA-N
MW311.25 g/mol
LogP0.23
Rot. Bonds4

About tetramethyl pyridine-2,3,5,6-tetracarboxylate

tetramethyl pyridine-2,3,5,6-tetracarboxylate (PubChem CID 767414) has the molecular formula C13H13NO8 and a molecular weight of 311.25 g/mol. Its IUPAC name is tetramethyl pyridine-2,3,5,6-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl pyridine-2,3,5,6-tetracarboxylate
PubChem CID767414
Molecular FormulaC13H13NO8
Molecular Weight311.25 g/mol
Exact Mass311.06
IUPAC Nametetramethyl pyridine-2,3,5,6-tetracarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC
InChIInChI=1S/C13H13NO8/c1-19-10(15)6-5-7(11(16)20-2)9(13(18)22-4)14-8(6)12(17)21-3/h5H,1-4H3
InChIKeyFRNKWNJKUPKZOW-UHFFFAOYSA-N
XLogP0.23
TPSA118.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate
CID 15672399
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate
CID 19958232
dimethyl 1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate
CID 10041105
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl 5-[[5,6-bis(methoxycarbonyl)-3-pyridinyl]sulfanyl]pyridine-2,3-dicarboxylate;ethane
CID 163236619
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
CID 134910532
dimethyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-phenylpyridine-2,3-dicarboxylate
CID 118411497

Frequently Asked Questions

What is the IUPAC name of tetramethyl pyridine-2,3,5,6-tetracarboxylate?
The IUPAC name of tetramethyl pyridine-2,3,5,6-tetracarboxylate (CID 767414) is tetramethyl pyridine-2,3,5,6-tetracarboxylate.
What is the SMILES notation for tetramethyl pyridine-2,3,5,6-tetracarboxylate?
The canonical SMILES for tetramethyl pyridine-2,3,5,6-tetracarboxylate is COC(=O)c1cc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC.
What is the InChIKey of tetramethyl pyridine-2,3,5,6-tetracarboxylate?
The InChIKey is FRNKWNJKUPKZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO8/c1-19-10(15)6-5-7(11(16)20-2)9(13(18)22-4)14-8(6)12(17)21-3/h5H,1-4H3.
What are the key properties of tetramethyl pyridine-2,3,5,6-tetracarboxylate?
tetramethyl pyridine-2,3,5,6-tetracarboxylate has a molecular weight of 311.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl pyridine-2,3,5,6-tetracarboxylate is sourced from PubChem (CID 767414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).