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

C11H18NO3- — CID 174522004

IUPACmethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CC(C)(C)N([O-])C(C)(C)C1
InChIInChI=1S/C11H18NO3/c1-10(2)6-8(9(13)15-5)7-11(3,4)12(10)14/h6H,7H2,1-5H3/q-1
InChIKeyURJYFMOKSOHEKT-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.85
Rot. Bonds1

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

methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate (PubChem CID 174522004) has the molecular formula C11H18NO3- and a molecular weight of 212.27 g/mol. Its IUPAC name is methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate
PubChem CID174522004
Molecular FormulaC11H18NO3-
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Namemethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CC(C)(C)N([O-])C(C)(C)C1
InChIInChI=1S/C11H18NO3/c1-10(2)6-8(9(13)15-5)7-11(3,4)12(10)14/h6H,7H2,1-5H3/q-1
InChIKeyURJYFMOKSOHEKT-UHFFFAOYSA-N
XLogP1.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.85
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
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
ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate
CID 174535351

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate?
The IUPAC name of methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate (CID 174522004) is methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate?
The canonical SMILES for methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate is COC(=O)C1=CC(C)(C)N([O-])C(C)(C)C1.
What is the InChIKey of methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate?
The InChIKey is URJYFMOKSOHEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO3/c1-10(2)6-8(9(13)15-5)7-11(3,4)12(10)14/h6H,7H2,1-5H3/q-1.
What are the key properties of methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate?
methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate has a molecular weight of 212.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate is sourced from PubChem (CID 174522004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).