Methyl 5-bromo-1H-indazole-6-carboxylate

C₉H₇BrN₂O₂CAS 1000342-30-2255.07 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 swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

1000342-30-2

SMILES

COC(=O)c1cc2n[nH]cc2cc1Br

InChIKey

OMGXGABLIDYSNN-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrN2O2/c1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8/h2-4H,1H3,(H,11,12)

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Names and synonyms

1 names

1H-Indazole-6-carboxylic acid, 5-bromo-, methyl ester

Work with Methyl 5-bromo-1H-indazole-6-carboxylate

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 2-bromo-4,5-difluorobenzoate878207-28-451 % similar Methyl 5-bromo-2-hydroxyisonicotinate913836-17-651 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-248 % similar Methyl 2,5-dibromobenzoate57381-43-848 % similar Methyl 5-bromo-2-chloro-4-pyridinecarboxylate886365-28-247 % similar Methyl 2-bromo-4-methylbenzoate87808-49-947 % similar Methyl 2-bromo-5-methylbenzoate90971-88-347 % similar Methyl 2-bromo-5-chlorobenzoate27007-53-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3-bromoimidazo[1,2-A]pyridine-7-carboxylate342613-63-2 Methyl 5-bromo-1H-indazole-3-carboxylate78155-74-5 6-Bromo-4-indazolecarboxylic acid methyl ester885518-49-0

Elsewhere

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