2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid

C10H16NO3- — CID 13442902

IUPAC2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid
SMILESCC1(C)C=C(C(=O)O)CC(C)(C)N1[O-]
InChIInChI=1S/C10H16NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h5H,6H2,1-4H3,(H,12,13)/q-1
InChIKeyAPCYBXLVHNZZEF-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.76
Rot. Bonds1

About 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid

2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid (PubChem CID 13442902) has the molecular formula C10H16NO3- and a molecular weight of 198.24 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid
PubChem CID13442902
Molecular FormulaC10H16NO3-
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid
SMILESCC1(C)C=C(C(=O)O)CC(C)(C)N1[O-]
InChIInChI=1S/C10H16NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h5H,6H2,1-4H3,(H,12,13)/q-1
InChIKeyAPCYBXLVHNZZEF-UHFFFAOYSA-N
XLogP1.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,6,6-Tetramethyl-1,3-dihydropyridine-4-carboxylic acid
CID 20488532
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
2,2,6,6-Tetramethyl-1-oxido-1,3-dihydropyridin-1-ium-4-carboxylic acid
CID 141137337
CID 21860700
CID 21860700
CID 102340522
CID 102340522
2,2,5,5-Tetraethyl-1-(l1-oxidaneyl)-2,5-dihydro-1H-pyrrole-3-carboxylic Acid
CID 169447085
methyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate
CID 174522004
ethyl 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylate
CID 174535351

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid?
The IUPAC name of 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid (CID 13442902) is 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid?
The canonical SMILES for 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid is CC1(C)C=C(C(=O)O)CC(C)(C)N1[O-].
What is the InChIKey of 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid?
The InChIKey is APCYBXLVHNZZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h5H,6H2,1-4H3,(H,12,13)/q-1.
What are the key properties of 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid?
2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid has a molecular weight of 198.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-oxido-3H-pyridine-4-carboxylic acid is sourced from PubChem (CID 13442902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).