5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid

C11H15NO4 — CID 149118530

IUPAC5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCC(C)(C)COc1c[nH]c(C(=O)O)cc1=O
InChIInChI=1S/C11H15NO4/c1-11(2,3)6-16-9-5-12-7(10(14)15)4-8(9)13/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyQZBAXDBFBVLFSU-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.50
Rot. Bonds3

About 5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid

5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 149118530) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID149118530
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCC(C)(C)COc1c[nH]c(C(=O)O)cc1=O
InChIInChI=1S/C11H15NO4/c1-11(2,3)6-16-9-5-12-7(10(14)15)4-8(9)13/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyQZBAXDBFBVLFSU-UHFFFAOYSA-N
XLogP1.50
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid (CID 149118530) is 5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid is CC(C)(C)COc1c[nH]c(C(=O)O)cc1=O.
What is the InChIKey of 5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is QZBAXDBFBVLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,3)6-16-9-5-12-7(10(14)15)4-8(9)13/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid?
5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropoxy)-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 149118530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).