4-Bromo-1H-indazole-6-carboxylic acid

C₈H₅BrN₂O₂CAS 885523-43-3241.04 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: 2.02Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

885523-43-3

SMILES

O=C(O)c1cc(Br)c2cn[nH]c2c1

InChIKey

PTPANGLJLZZYNH-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1H-Indazole-6-carboxylic acid, 4-bromo-

Work with 4-Bromo-1H-indazole-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

3,5-Dibromo-4-hydroxybenzoic acid3337-62-050 % similar 4-Bromo-6-chloro-1H-indazole885519-03-950 % similar 4-Bromo-6-fluoro-1H-indazole885520-35-450 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-449 % similar 3-Bromo-4,5-difluorobenzoic acid1244642-73-644 % similar 1H-Pyrazolo[3,4-B]pyridine-5-carboxylic acid952182-02-444 % similar Bromoterephthalic acid586-35-644 % similar 4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-344 % 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 3-Bromoimidazo[1,2-A]pyridine-6-carboxylic acid886362-00-1

Elsewhere

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