5-Bromo-4-methyl-1H-indazole

C₈H₇BrN₂CAS 1082041-34-6211.06 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₇BrN₂
Molar mass: 211.06 g/mol
Exact mass: 209.9793 Da
logP: 2.63Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed40% of notifiers
H302 Harmful if swallowed40% of notifiers
H311 Toxic in contact with skin20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation60% of notifiers
H318 Causes serious eye damage20% of notifiers
H319 Causes serious eye irritation60% of notifiers
H331 Toxic if inhaled20% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1082041-34-6

SMILES

Cc1c(Br)ccc2n[nH]cc12

InChIKey

QLQQQEUHPBMUCF-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrN2/c1-5-6-4-10-11-8(6)3-2-7(5)9/h2-4H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

1H-Indazole, 5-bromo-4-methyl-

Work with 5-Bromo-4-methyl-1H-indazole

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

1,4-Dibromo-2,3-dimethylbenzene75024-22-546 % similar B-(5-Methyl-1H-indazol-4-yl)boronic acid1245816-10-743 % similar 4-Bromo-3-methyl-1H-pyrazole13808-64-542 % similar 2,6-Dibromotoluene69321-60-440 % similar 1-Bromo-4-fluoro-2,3-dimethylbenzene52548-00-237 % similar 4-Bromo-2,3-dimethylpyridine259807-91-536 % similar 1-Bromo-2,3-dimethylbenzene576-23-835 % similar 7-Bromo-1H-indazole53857-58-235 % similar

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

Same formula

6-Bromo-5-methyl (1H)indazole1000343-69-0 7-Bromo-1-methyl-1H-indazole1000576-59-9 5-Bromo-3-methyl-7-azaindole1111637-94-5 2-Methyl-5-bromo-7-azaindole1111638-02-8 7-Bromo-3-methyl-1H-indazole1159511-75-7 4-Bromo-1-methyl-1H-1,3-benzodiazole1353679-63-6 5-Bromo-7-methyl-1H-indazole156454-43-2 5-Bromo-2-methyl-2H-indazole465529-56-0

Elsewhere

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