5-Bromo-3,4-pyridinediamine

C₅H₆BrN₃CAS 4635-08-9188.03 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: 121–123 °C
logP: 0.84Crippen estimate
Polar surface area: 65.7 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4635-08-9

SMILES

N=c1c(N)c[nH]cc1Br

InChIKey

CMFSWSZEHYPECE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

3,4-Pyridinediamine, 5-bromo-
Pyridine, 3,4-diamino-5-bromo-
3-Bromopyridine-4,5-diamine
5-Bromopyridine-3,4-diamine

Work with 5-Bromo-3,4-pyridinediamine

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

3-Bromo-5-methyl-4-pyridinamine97944-43-953 % similar 3,4-Diaminopyridine54-96-638 % similar 2,5-Dibromo-1,4-phenylenediamine25462-61-737 % similar 4,5-Dibromo-1,2-phenylenediamine49764-63-837 % similar 4-Amino-3,5-dichloropyridine22889-78-734 % similar 2-Bromoaniline615-36-134 % similar 2-Amino-6-bromophenol28165-50-633 % similar 5-Bromo-4-chloro-2,3-pyridinediamine1131604-99-332 % 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-Bromopyridine-2,3-diamine38875-53-5 3-Bromo-2,6-pyridinediamine54903-86-5 5-Bromo-2-hydrazinopyridine77992-44-0

Elsewhere

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