ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate

C12H20NO3- — CID 174535351

IUPACethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC(C)(C)N([O-])C(C)(C)C1
InChIInChI=1S/C12H20NO3/c1-6-16-10(14)9-7-11(2,3)13(15)12(4,5)8-9/h7H,6,8H2,1-5H3/q-1
InChIKeyXOWAEMRLSISFTK-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.24
Rot. Bonds2

About ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate

ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate (PubChem CID 174535351) has the molecular formula C12H20NO3- and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate
PubChem CID174535351
Molecular FormulaC12H20NO3-
Molecular Weight226.30 g/mol
Exact Mass226.14
IUPAC Nameethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC(C)(C)N([O-])C(C)(C)C1
InChIInChI=1S/C12H20NO3/c1-6-16-10(14)9-7-11(2,3)13(15)12(4,5)8-9/h7H,6,8H2,1-5H3/q-1
InChIKeyXOWAEMRLSISFTK-UHFFFAOYSA-N
XLogP2.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester
CID 108654
1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, methyl ester
CID 112443
methyl 1-hydroxy-2,2,6,6-tetramethyl-3H-pyridine-4-carboxylate
CID 22145523
ethyl 1-hydroxy-2,2,6,6-tetramethyl-3H-pyridine-4-carboxylate
CID 22145529
1-hydroxy-2,2,6,6-tetramethyl-3H-pyridine-4-carboxylic acid
CID 54086355
5-(2-Methyl-2-nitropropyl)-2,3-dihydropyran-6-one
CID 163422600
Methyl 2,2,6,6-tetramethyl-1-oxido-1,3-dihydropyridin-1-ium-4-carboxylate
CID 174522003
Ethyl 2,2,6,6-tetramethyl-1-oxido-1,3-dihydropyridin-1-ium-4-carboxylate
CID 174535350
2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid
CID 13442902
CID 21860700
CID 21860700
[(3S)-5-oxooxolan-3-yl] 1-hydroxy-2,2,6,6-tetramethyl-3H-pyridine-4-carboxylate
CID 57524190
[(3R)-5-oxooxolan-3-yl] 1-hydroxy-2,2,6,6-tetramethyl-3H-pyridine-4-carboxylate
CID 57524191

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate?
The IUPAC name of ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate (CID 174535351) is ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate is CCOC(=O)C1=CC(C)(C)N([O-])C(C)(C)C1.
What is the InChIKey of ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate?
The InChIKey is XOWAEMRLSISFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO3/c1-6-16-10(14)9-7-11(2,3)13(15)12(4,5)8-9/h7H,6,8H2,1-5H3/q-1.
What are the key properties of ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate?
ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate is sourced from PubChem (CID 174535351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).