5-Bromo-3-methyl-1H-indazole

C₈H₇BrN₂CAS 552331-16-5211.06 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

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation75% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

552331-16-5

SMILES

Cc1[nH]nc2ccc(Br)cc12

InChIKey

XDJNHYAQZWCIAH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

1H-Indazole, 5-bromo-3-methyl-
3-Methyl-5-bromo-1H-indazole

Work with 5-Bromo-3-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

6-Bromo-3-methyl-1H-indazole7746-27-274 % similar 5-Bromo-3-chloro-1H-indazole36760-19-761 % similar 5-Bromo-3-iodo (1H)indazole459133-66-559 % similar 3-Methyl-1H-indazol-5-amine90764-90-259 % similar 3-Methyl-1H-indazole3176-62-353 % similar 5-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine885223-65-453 % similar 3-Methyl-5-nitro-1H-indazole40621-84-950 % similar 6-Bromo-4-methylquinoline41037-28-946 % 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-4-methyl-1H-indazole1082041-34-6 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook