3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid

C11H15NO3 — CID 84722820

IUPAC3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C(C)(C)C)ccc1=O
InChIInChI=1S/C11H15NO3/c1-11(2,3)7-5-6-8(13)12(4)9(7)10(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyFPKIYACEFSLONU-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.38
Rot. Bonds1

About 3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid

3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid (PubChem CID 84722820) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid
PubChem CID84722820
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C(C)(C)C)ccc1=O
InChIInChI=1S/C11H15NO3/c1-11(2,3)7-5-6-8(13)12(4)9(7)10(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyFPKIYACEFSLONU-UHFFFAOYSA-N
XLogP1.38
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid (CID 84722820) is 3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid is Cn1c(C(=O)O)c(C(C)(C)C)ccc1=O.
What is the InChIKey of 3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is FPKIYACEFSLONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,3)7-5-6-8(13)12(4)9(7)10(14)15/h5-6H,1-4H3,(H,14,15).
What are the key properties of 3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid?
3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 84722820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).