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

C12H14N2O2 — CID 166563458

IUPAC8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)(C)c1cccn2c(C(=O)O)cnc12
InChIInChI=1S/C12H14N2O2/c1-12(2,3)8-5-4-6-14-9(11(15)16)7-13-10(8)14/h4-7H,1-3H3,(H,15,16)
InChIKeyUGGLJAZMNZFGDB-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.33
Rot. Bonds1

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

8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 166563458) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID166563458
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)(C)c1cccn2c(C(=O)O)cnc12
InChIInChI=1S/C12H14N2O2/c1-12(2,3)8-5-4-6-14-9(11(15)16)7-13-10(8)14/h4-7H,1-3H3,(H,15,16)
InChIKeyUGGLJAZMNZFGDB-UHFFFAOYSA-N
XLogP2.33
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 166563458) is 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)(C)c1cccn2c(C(=O)O)cnc12.
What is the InChIKey of 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is UGGLJAZMNZFGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,3)8-5-4-6-14-9(11(15)16)7-13-10(8)14/h4-7H,1-3H3,(H,15,16).
What are the key properties of 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid?
8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 166563458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).