5-Bromopyridine-2,3-diamine

C₅H₆BrN₃CAS 38875-53-5188.03 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₆BrN₃
Molar mass: 188.03 g/mol
Exact mass: 186.9745 Da
Melting point: 214–215 °C
Boiling point: 180 °C
logP: 1.01Crippen estimate
Polar surface area: 64.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed10.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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

38875-53-5

SMILES

Nc1cc(Br)cnc1N

InChIKey

YRGMYJUKFJPNPD-UHFFFAOYSA-N

InChI

InChI=1S/C5H6BrN3/c6-3-1-4(7)5(8)9-2-3/h1-2H,7H2,(H2,8,9)

Weigh it out

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

Names and synonyms

5 names

2,3-Diamino-5-bromopyridine
2,3-Pyridinediamine, 5-bromo-
Pyridine, 2,3-diamino-5-bromo-
5-Bromo-2,3-pyridinediamine
5-Bromo-2,3-diaminopyridine

Work with 5-Bromopyridine-2,3-diamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dibromo-2-pyridylamine35486-42-163 % similar 2,5-Dibromo-3-pyridinamine90902-84-463 % similar 2-Amino-5-bromo-3-iodopyridine381233-96-159 % similar 5-Bromo-3-chloropyridin-2-amine38185-55-659 % similar 2-Amino-5-bromo-3-hydroxypyridine39903-01-059 % similar 3-Amino-5-bromo-2-chloropyridine588729-99-159 % similar 2-Amino-5-bromo-3-fluoropyridine748812-37-559 % similar 5-Bromo-2-methyl-3-pyridinamine914358-73-959 % similar

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

Same formula

6-Bromopyridine-2,3-diamine129012-04-0 5-Bromo-4-methylpyrimidin-2-amine17321-93-6 2-Bromo-6-hydrazinylpyridine26944-71-8 5-Bromo-3,4-pyridinediamine4635-08-9 3-Bromo-2,6-pyridinediamine54903-86-5 5-Bromo-2-hydrazinopyridine77992-44-0

Elsewhere

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