chempirical

5-Bromo-1H-indazole-3-carboxylic acid

C8H5BrN2O2CAS 1077-94-7241.04 g/mol

Open in Covalent MOL file
BrNNHOOH
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1077-94-7
SMILES
C1=CC2=C(C=C1Br)C(=NN2)C(=O)O
InChIKey
AMJVXOOGGBPVCZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)

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Work with 5-Bromo-1H-indazole-3-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

5-Fluoro-1H-indazole-3-carboxylic acid1077-96-967 % similar 5-Methyl-1H-indazole-3-carboxylic acid1201-24-767 % similar Indazole-3-carboxylic acid4498-67-362 % similar 5-Bromo-1H-indole-3-carboxylic acid10406-06-154 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-851 % similar 4-Bromophthalic acid6968-28-147 % similar 6-Bromo-1H-indole-2-carboxylic acid16732-65-347 % similar 5-Bromo-2-chlorobenzoic acid21739-92-446 % similar

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

Same formula

4-Bromo-1H-indazole-3-carboxylic acid885521-80-2 4-Bromo-1H-indazole-6-carboxylic acid885523-43-3 3-Bromoimidazo[1,2-A]pyridine-6-carboxylic acid886362-00-1

Elsewhere

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