3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid

C10H13NO3 — CID 84720424

IUPAC3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(=O)[nH]c1C(=O)O
InChIInChI=1S/C10H13NO3/c1-10(2,3)6-4-5-7(12)11-8(6)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyUXECQBSNJSMCSL-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.37
Rot. Bonds1

About 3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid

3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 84720424) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID84720424
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(=O)[nH]c1C(=O)O
InChIInChI=1S/C10H13NO3/c1-10(2,3)6-4-5-7(12)11-8(6)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyUXECQBSNJSMCSL-UHFFFAOYSA-N
XLogP1.37
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 84720424) is 3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid is CC(C)(C)c1ccc(=O)[nH]c1C(=O)O.
What is the InChIKey of 3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is UXECQBSNJSMCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(2,3)6-4-5-7(12)11-8(6)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid?
3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 84720424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).