3-Bromoimidazo[1,2-A]pyridine-6-carboxylic acid

C₈H₅BrN₂O₂CAS 886362-00-1241.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅BrN₂O₂
Molar mass: 241.04 g/mol
Exact mass: 239.9534 Da
logP: 1.79Crippen estimate
Polar surface area: 54.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

886362-00-1

SMILES

O=C(O)c1ccc2ncc(Br)n2c1

InChIKey

VLYJTINXFYEGOO-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrN2O2/c9-6-3-10-7-2-1-5(8(12)13)4-11(6)7/h1-4H,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

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

Work with 3-Bromoimidazo[1,2-A]pyridine-6-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromobenzoic acid586-76-547 % similar 6-Chloronicotinic acid5326-23-845 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-845 % similar Terephthalic acid100-21-042 % similar Imidazo[1,2-A]pyridine-3-carboxylic acid6200-60-842 % similar 6,6′-Dithiodinicotinic acid15658-35-241 % similar 6-Hydrazinonicotinic acid133081-24-040 % similar 4-Bromo-3-methylbenzoic acid7697-28-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-1H-indazole-3-carboxylic acid1077-94-7 4-Bromo-1H-indazole-3-carboxylic acid885521-80-2 4-Bromo-1H-indazole-6-carboxylic acid885523-43-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook