6-Bromo-4-indazolecarboxylic acid methyl ester

C₉H₇BrN₂O₂CAS 885518-49-0255.07 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₇BrN₂O₂
Molar mass: 255.07 g/mol
Exact mass: 253.9691 Da
logP: 2.11Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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