trimethyl pyridine-2,4,6-tricarboxylate

C11H11NO6 — CID 12560765

IUPACtrimethyl pyridine-2,4,6-tricarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)nc(C(=O)OC)c1
InChIInChI=1S/C11H11NO6/c1-16-9(13)6-4-7(10(14)17-2)12-8(5-6)11(15)18-3/h4-5H,1-3H3
InChIKeyRJRVGJDUSQEIGG-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.44
Rot. Bonds3

About trimethyl pyridine-2,4,6-tricarboxylate

trimethyl pyridine-2,4,6-tricarboxylate (PubChem CID 12560765) has the molecular formula C11H11NO6 and a molecular weight of 253.21 g/mol. Its IUPAC name is trimethyl pyridine-2,4,6-tricarboxylate.

Molecular Properties

Compound Nametrimethyl pyridine-2,4,6-tricarboxylate
PubChem CID12560765
Molecular FormulaC11H11NO6
Molecular Weight253.21 g/mol
Exact Mass253.06
IUPAC Nametrimethyl pyridine-2,4,6-tricarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)nc(C(=O)OC)c1
InChIInChI=1S/C11H11NO6/c1-16-9(13)6-4-7(10(14)17-2)12-8(5-6)11(15)18-3/h4-5H,1-3H3
InChIKeyRJRVGJDUSQEIGG-UHFFFAOYSA-N
XLogP0.44
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Diethyl dipicolinate
CID 254510
Diethyl 2,4-pyridinedicarboxylate
CID 170509
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate
CID 237845
Dimethyl pyridine-2,4-dicarboxylate
CID 254545
4-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 13353752
Methyl 5,8-dioxoquinoline-2-carboxylate
CID 9859230
Methyl quinoline-2-carboxylate
CID 421738
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421

Frequently Asked Questions

What is the IUPAC name of trimethyl pyridine-2,4,6-tricarboxylate?
The IUPAC name of trimethyl pyridine-2,4,6-tricarboxylate (CID 12560765) is trimethyl pyridine-2,4,6-tricarboxylate.
What is the SMILES notation for trimethyl pyridine-2,4,6-tricarboxylate?
The canonical SMILES for trimethyl pyridine-2,4,6-tricarboxylate is COC(=O)c1cc(C(=O)OC)nc(C(=O)OC)c1.
What is the InChIKey of trimethyl pyridine-2,4,6-tricarboxylate?
The InChIKey is RJRVGJDUSQEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO6/c1-16-9(13)6-4-7(10(14)17-2)12-8(5-6)11(15)18-3/h4-5H,1-3H3.
What are the key properties of trimethyl pyridine-2,4,6-tricarboxylate?
trimethyl pyridine-2,4,6-tricarboxylate has a molecular weight of 253.21 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl pyridine-2,4,6-tricarboxylate is sourced from PubChem (CID 12560765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).