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

C₈H₅BrN₂O₂CAS 885521-80-2241.04 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

885521-80-2

SMILES

O=C(O)c1n[nH]c2cccc(Br)c12

InChIKey

IQVZPISNPRYBGH-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1H-Indazole-3-carboxylic acid, 4-bromo-

Work with 4-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

Indazole-3-carboxylic acid4498-67-358 % similar 8-Bromo-1-naphthalenecarboxylic acid1729-99-348 % similar 5-Fluoro-1H-indazole-3-carboxylic acid1077-96-944 % similar 5-Methyl-1H-indazole-3-carboxylic acid1201-24-744 % similar 2-Bromobenzoic acid88-65-342 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-842 % similar 3-Bromo-2-chlorobenzoic acid56961-27-441 % similar 3-Bromo-2-fluorobenzoic acid161957-56-840 % 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-6-carboxylic acid885523-43-3 3-Bromoimidazo[1,2-A]pyridine-6-carboxylic acid886362-00-1

Elsewhere

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