5-Bromo-1H-pyrazolo[3,4-b]pyridin-3-amine

C₆H₅BrN₄CAS 405224-24-0213.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅BrN₄
Molar mass: 213.04 g/mol
Exact mass: 211.9698 Da
logP: 1.30Crippen estimate
Polar surface area: 67.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

405224-24-0

SMILES

Nc1[nH]nc2ncc(Br)cc12

InChIKey

SSNUTEUZXZIYTB-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN4/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H3,8,9,10,11)

Weigh it out

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

Names and synonyms

2 names

1H-Pyrazolo[3,4-b]pyridin-3-amine, 5-bromo-
3-Amino-5-bromo-1H-pyrazolo[3,4-b]pyridine

Work with 5-Bromo-1H-pyrazolo[3,4-b]pyridin-3-amine

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-3-iodo-1H-pyrazolo[3,4-b]pyridine875781-18-360 % similar 5-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine885223-65-460 % similar 1H-Pyrazolo[3,4-B]pyridin-3-amine6752-16-547 % similar 3,5-Dibromo-2-pyridylamine35486-42-139 % similar 5-Bromopyridine-2,3-diamine38875-53-539 % similar 2,5-Dibromo-3-pyridinamine90902-84-439 % similar 5-Bromo-3-methyl-7-azaindole1111637-94-538 % similar 5-Bromo-1H-indazol-3-amine61272-71-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-[1,2,4]triazolo[1,5-A]pyridin-2-ylamine1010120-55-4 8-Bromo-[1,2,4]triazolo[1,5-A]pyridin-2-ylamine1124382-72-4 7-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine937046-98-5 6-Bromo-[1,2,4]triazolo[1,5-A]pyridin-2-ylamine947248-68-2

Elsewhere

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