6-Bromo-1H-pyrazolo[4,3-b]pyridine

C₆H₄BrN₃CAS 1150617-54-1198.02 g/mol

Open in Covalent MOL file

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
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1150617-54-1

SMILES

Brc1cnc2c[nH]nc2c1

InChIKey

FONNZZMIJPHSJP-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrN3/c7-4-1-5-6(8-2-4)3-9-10-5/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[4,3-b]pyridine, 6-bromo-

Work with 6-Bromo-1H-pyrazolo[4,3-b]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

6-Bromo-3H-imidazo[4,5-b]pyridine28279-49-447 % similar 6-Bromo-1H-pyrrolo[3,2-b]pyridine944937-53-544 % similar 3-Bromoquinoline5332-24-142 % similar 2-Amino-5-bromopyrimidine7752-82-139 % similar 7-Bromo-2,3-dichloropyrido(2,3-b)pyrazine341939-31-939 % similar 5-Bromo-3-methyl-7-azaindole1111637-94-538 % similar 5-Bromo-3-iodo-1H-pyrrolo(2,3-b)pyridine757978-18-038 % similar 3,8-Dibromophenanthroline100125-12-038 % 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-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 3-Bromoimidazo(1,2-b)pyridazine18087-73-5

Elsewhere

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