2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C13H16N2O2 — CID 79015469

IUPAC2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccn2c(C(=O)O)c(C(C)(C)C)nc12
InChIInChI=1S/C13H16N2O2/c1-8-6-5-7-15-9(12(16)17)10(13(2,3)4)14-11(8)15/h5-7H,1-4H3,(H,16,17)
InChIKeyOKYAACGKCZJNKZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.64
Rot. Bonds1

About 2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid

2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 79015469) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID79015469
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccn2c(C(=O)O)c(C(C)(C)C)nc12
InChIInChI=1S/C13H16N2O2/c1-8-6-5-7-15-9(12(16)17)10(13(2,3)4)14-11(8)15/h5-7H,1-4H3,(H,16,17)
InChIKeyOKYAACGKCZJNKZ-UHFFFAOYSA-N
XLogP2.64
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 79015469) is 2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cccn2c(C(=O)O)c(C(C)(C)C)nc12.
What is the InChIKey of 2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is OKYAACGKCZJNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-6-5-7-15-9(12(16)17)10(13(2,3)4)14-11(8)15/h5-7H,1-4H3,(H,16,17).
What are the key properties of 2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 79015469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).