2-Amino-5-bromo-3-iodopyridine

C₅H₄BrIN₂CAS 381233-96-1298.91 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₄BrIN₂
Molar mass: 298.91 g/mol
Exact mass: 297.8603 Da
logP: 2.03Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed85.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage83.3% of notifiers
H319 Causes serious eye irritation16.7% 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

381233-96-1

SMILES

C1=C(C=NC(=C1I)N)Br

InChIKey

XPERZSKJGNUSHI-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BrIN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)

Weigh it out

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

Work with 2-Amino-5-bromo-3-iodopyridine

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

2-Amino-3,5-dibromopyridine35486-42-159 % similar 2,3-Diamino-5-bromopyridine38875-53-559 % similar 5-Chloro-3-iodo-2-pyridinamine211308-81-555 % similar 5-Bromo-3-chloropyridin-2-amine38185-55-655 % similar 2-Amino-5-bromo-3-hydroxypyridine39903-01-055 % similar 2-Amino-5-bromo-3-fluoropyridine748812-37-555 % similar 2-Amino-5-bromo-3-(hydroxymethyl)pyridine335031-01-150 % similar 5-Bromo-3-methoxypyridin-2-amine42409-58-550 % similar

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

Same formula

3-Bromo-5-iodo-2-pyridinamine697300-73-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook