chempirical

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

C8H5BrN2O2CAS 660823-36-9241.04 g/mol

Open in Covalent MOL file
BrHNNOOH
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
660823-36-9
SMILES
C1=CC2=C(C=C1Br)NN=C2C(=O)O
InChIKey
QDQJIDDXPACPKY-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h1-3H,(H,10,11)(H,12,13)

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Names and synonyms

1 names
  • 6-Bromo indazole-3-carboxylic acid

Work with 6-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 acid4498-67-361 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-860 % similar 5-Fluoro-1H-indazole-3-carboxylic acid1077-96-953 % similar 5-Methyl-1H-indazole-3-carboxylic acid1201-24-753 % similar 5-Methoxy-1H-indazole-3-carboxylic acid90417-53-151 % similar 6-Bromo-1H-indazol-3-amine404827-77-650 % similar Methyl 5-bromo-1H-indazole-3-carboxylate78155-74-550 % similar 6-Bromo-3-iodo-1H-indazole885521-88-050 % 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-Benzyl-10,19-diethyl-4,10,19-triaza-1,7,13,16-tetraoxacycloheneicosane397864-11-8 6-Bromoimidazo(1,2-a)pyridine-2-carboxylic acid749849-14-7 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-7 6-Bromoh-pyrazolo[1,5-A]pyridine-2-carboxylic acid876379-74-7 6-Bromo-2,4(1H,3H)-quinazolinedione88145-89-5 4-Bromo-1H-indazole-3-carboxylic acid885521-80-2 4-Bromo-1H-indazole-6-carboxylic acid885523-43-3

Elsewhere

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