chempirical

6-Bromo-4-indazolecarboxylic acid methyl ester

C9H7BrN2O2CAS 885518-49-0255.07 g/mol

Open in Covalent MOL file
OONNHBr
Aryl halideEster

Properties

Molecular formula
C9H7BrN2O2
Molar mass
255.07 g/mol
Exact mass
253.9691 Da
logP
2.11Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
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
885518-49-0
SMILES
COC(=O)C1=C2C=NNC2=CC(=C1)Br
InChIKey
FEPRHRPOKPTRQZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BrN2O2/c1-14-9(13)6-2-5(10)3-8-7(6)4-11-12-8/h2-4H,1H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Methyl 6-bromo-1H-indazole-4-carboxylate

Work with 6-Bromo-4-indazolecarboxylic acid methyl ester

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

Methyl 6-bromoindole-4-carboxylate107650-22-661 % similar 4-(1H)Indazole carboxylic acid methyl ester192945-49-660 % similar Methyl 1H-indazole-6-carboxylate170487-40-851 % similar Methyl 5-bromo-2-chloronicotinate78686-79-050 % similar Methyl 3,5-dibromosalicylate21702-79-449 % similar Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate120034-05-148 % similar Methyl 2-amino-3,5-dibromobenzoate606-00-848 % similar Methyl 2,5-dibromobenzoate57381-43-848 % similar

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

Same formula

Methyl 5-bromo-1H-indazole-6-carboxylate1000342-30-2 Methyl 3-bromoimidazo[1,2-A]pyridine-7-carboxylate342613-63-2 Methyl 5-bromo-1H-indazole-3-carboxylate78155-74-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook