5-Bromo-1H-pyrazolo[3,4-c]pyridine

C₆H₄BrN₃CAS 929617-35-6198.02 g/mol

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Aryl halide

Properties

Molecular formula: C₆H₄BrN₃
Molar mass: 198.02 g/mol
Exact mass: 196.9589 Da
logP: 1.72Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% 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 inhaled100% 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

929617-35-6

SMILES

Brc1cc2cn[nH]c2cn1

InChIKey

AVTKMQORQDZRPF-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrN3/c7-6-1-4-2-9-10-5(4)3-8-6/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

1H-Pyrazolo[3,4-c]pyridine, 5-bromo-

Work with 5-Bromo-1H-pyrazolo[3,4-c]pyridine

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

5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-858 % similar 5-Chloro-1H-pyrazolo(3,4-c)pyridine76006-08-155 % similar 5-Bromo-1H-indazole53857-57-150 % similar 6-Bromoindazole79762-54-247 % similar 6-Bromo-5-methyl (1H)indazole1000343-69-046 % similar 5-Bromo-6-fluoro-1H-indazole105391-70-646 % similar 6-Bromo-5-fluoro-1H-indazole1286734-85-746 % similar 5-Bromo-6-methyl-1H-indazole885223-72-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-3 7-Bromo-(1,2,4)triazolo(1,5-a)pyridine1053655-66-5 6-Bromo-[1,2,4]triazolo[4,3-a]pyridine108281-79-4 6-Bromo-1H-pyrazolo[4,3-b]pyridine1150617-54-1 6-Bromoimidazo[1,2-B]pyridazine1159977-65-7 6-Bromo-1H-pyrazolo[4,3-c]pyridine1206973-12-7 5-Bromo-(1,2,4)triazolo(1,5-a)pyridine143329-58-2 5-Bromo-7H-pyrrolo[2,3-D]pyrimidine175791-49-8

Elsewhere

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