5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C9H7BrN2O2 — CID 130064939

IUPAC5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc2ncc(C(=O)O)n2c1Br
InChIInChI=1S/C9H7BrN2O2/c1-5-2-3-7-11-4-6(9(13)14)12(7)8(5)10/h2-4H,1H3,(H,13,14)
InChIKeyXUQWXDZIJGLHAS-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.10
Rot. Bonds1

About 5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid

5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 130064939) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID130064939
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc2ncc(C(=O)O)n2c1Br
InChIInChI=1S/C9H7BrN2O2/c1-5-2-3-7-11-4-6(9(13)14)12(7)8(5)10/h2-4H,1H3,(H,13,14)
InChIKeyXUQWXDZIJGLHAS-UHFFFAOYSA-N
XLogP2.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(carboxymethyl)-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 19701314
6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854345
5-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 76849588
5-aminoimidazo[1,2-a]pyridine-3-carboxylic acid
CID 19609393
3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693349
5-chloro-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 130064894
2-methyl-3-[(2-methylphenyl)methyl]imidazole-4-carboxylic acid
CID 65172846
3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 118704521
6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane
CID 145297524
5-[hydroxy(phosphono)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 19701238
6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854355
5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide;5-bromo-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 167613235

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 130064939) is 5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1ccc2ncc(C(=O)O)n2c1Br.
What is the InChIKey of 5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is XUQWXDZIJGLHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-5-2-3-7-11-4-6(9(13)14)12(7)8(5)10/h2-4H,1H3,(H,13,14).
What are the key properties of 5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 255.07 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 130064939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).