2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C13H16N2O2 — CID 115405211

IUPAC2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCC(C)c1nc2ccc(C)cn2c1C(=O)O
InChIInChI=1S/C13H16N2O2/c1-4-9(3)11-12(13(16)17)15-7-8(2)5-6-10(15)14-11/h5-7,9H,4H2,1-3H3,(H,16,17)
InChIKeyKFRDVFDSLIMKIE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.85
Rot. Bonds3

About 2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid

2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 115405211) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID115405211
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCC(C)c1nc2ccc(C)cn2c1C(=O)O
InChIInChI=1S/C13H16N2O2/c1-4-9(3)11-12(13(16)17)15-7-8(2)5-6-10(15)14-11/h5-7,9H,4H2,1-3H3,(H,16,17)
InChIKeyKFRDVFDSLIMKIE-UHFFFAOYSA-N
XLogP2.85
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530207
6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056508
1-(6-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanol
CID 82029408
N-(2-hydroxypropyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84556352
2-amino-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 83832171
N-(1-hydroxybutan-2-yl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84556389
1-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029639
3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527404
2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405096
2-butan-2-yl-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405149
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056527
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530233

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 115405211) is 2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid is CCC(C)c1nc2ccc(C)cn2c1C(=O)O.
What is the InChIKey of 2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is KFRDVFDSLIMKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-9(3)11-12(13(16)17)15-7-8(2)5-6-10(15)14-11/h5-7,9H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 115405211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).