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

C8H5BrN2O2CAS 885521-80-2241.04 g/mol

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OHONNHBr
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.

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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 3-Bromopyridine-2-carboxylic acid30683-23-949 % similar 4-Bromo-1H-indazol-3-amine914311-50-549 % similar 8-Bromo-1-naphthalenecarboxylic acid1729-99-348 % similar 2,6-Dibromobenzoic acid601-84-347 % similar 3-Bromo-6-chloropyridine-2-carboxylic acid929000-66-845 % similar 5-Fluoro-1H-indazole-3-carboxylic acid1077-96-944 % similar 5-Methyl-1H-indazole-3-carboxylic acid1201-24-744 % 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-Bromo-1H-indazole-3-carboxylic acid660823-36-9 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-6-carboxylic acid885523-43-3

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