1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid

C11H19NO2 — CID 56619811

IUPAC1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid
SMILESCN1C(C)(C)C=CC(C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO2/c1-10(2)7-6-8(9(13)14)11(3,4)12(10)5/h6-8H,1-5H3,(H,13,14)
InChIKeyAZTLVIWJYJCZRO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds1

About 1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid

1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid (PubChem CID 56619811) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid
PubChem CID56619811
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid
SMILESCN1C(C)(C)C=CC(C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO2/c1-10(2)7-6-8(9(13)14)11(3,4)12(10)5/h6-8H,1-5H3,(H,13,14)
InChIKeyAZTLVIWJYJCZRO-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Dimethylamino)-6-ethylcyclohexa-2,4-diene-1-carboxylic acid
CID 17943159
(E)-2-methyl-6-[methyl(propyl)amino]hex-4-enoic acid
CID 20736859
6-Methyl-6-(2-methylpropylamino)cyclohexa-2,4-diene-1-carboxylic acid
CID 22563547
2-Methyl-6-[methyl(propyl)amino]hex-4-enoic acid
CID 73702731
6-(Dimethylamino)cyclohexa-2,4-diene-1-carboxylic acid
CID 121283248
1,4-dimethyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 129925226

Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid?
The IUPAC name of 1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid (CID 56619811) is 1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid?
The canonical SMILES for 1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid is CN1C(C)(C)C=CC(C(=O)O)C1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid?
The InChIKey is AZTLVIWJYJCZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)7-6-8(9(13)14)11(3,4)12(10)5/h6-8H,1-5H3,(H,13,14).
What are the key properties of 1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid?
1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-3H-pyridine-3-carboxylic acid is sourced from PubChem (CID 56619811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).