4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate

C12H13NO6 — CID 23171065

IUPAC4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
SMILESCCOC(=O)c1cc(C(=O)OC)ncc1C(=O)OC
InChIInChI=1S/C12H13NO6/c1-4-19-11(15)7-5-9(12(16)18-3)13-6-8(7)10(14)17-2/h5-6H,4H2,1-3H3
InChIKeyUZWMAEJSKGQFKS-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.83
Rot. Bonds4

About 4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate

4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate (PubChem CID 23171065) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate.

Molecular Properties

Compound Name4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
PubChem CID23171065
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
SMILESCCOC(=O)c1cc(C(=O)OC)ncc1C(=O)OC
InChIInChI=1S/C12H13NO6/c1-4-19-11(15)7-5-9(12(16)18-3)13-6-8(7)10(14)17-2/h5-6H,4H2,1-3H3
InChIKeyUZWMAEJSKGQFKS-UHFFFAOYSA-N
XLogP0.83
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.83
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

methyl 5-ethyl-4-methylpyridine-2-carboxylate
CID 130047128
diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate
CID 122232828
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
ethyl 4-methyl-1H-pyrrole-3-carboxylate;methyl 4-methyl-1H-pyrrole-3-carboxylate
CID 70398310
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
methyl 6-acetyl-4-methylpyridine-3-carboxylate
CID 178165335
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate?
The IUPAC name of 4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate (CID 23171065) is 4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate.
What is the SMILES notation for 4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate?
The canonical SMILES for 4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate is CCOC(=O)c1cc(C(=O)OC)ncc1C(=O)OC.
What is the InChIKey of 4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate?
The InChIKey is UZWMAEJSKGQFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6/c1-4-19-11(15)7-5-9(12(16)18-3)13-6-8(7)10(14)17-2/h5-6H,4H2,1-3H3.
What are the key properties of 4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate?
4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate has a molecular weight of 267.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate is sourced from PubChem (CID 23171065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).