3-Amino-5-bromo-2-chloropyridine

C₅H₄BrClN₂CAS 588729-99-1207.45 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₄BrClN₂
Molar mass: 207.45 g/mol
Exact mass: 205.9246 Da
logP: 2.08Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed85.4% of notifiers
H302 Harmful if swallowed10.4% of notifiers
H312 Harmful in contact with skin10.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage85.4% of notifiers
H319 Causes serious eye irritation14.6% 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+P316, 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

588729-99-1

SMILES

C1=C(C=NC(=C1N)Cl)Br

InChIKey

ZSEZSALOLWCCGT-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BrClN2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2

Weigh it out

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

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

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-Bromopyridine-2,3-diamine38875-53-559 % similar 2-Chloro-3,5-dibromopyridine40360-47-259 % similar 3-Amino-2,5-dichloropyridine78607-32-659 % similar 2,5-Dibromo-3-pyridinamine90902-84-459 % similar 5-Bromo-2,3-dichloropyridine97966-00-259 % similar 5-Bromo-2-chloro-pyridin-3-ol286946-77-855 % similar 5-Bromo-2-chloro-3-methylpyridine29241-60-955 % similar 2-Chloro-5-methylpyridin-3-amine34552-13-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-5-chloro-2-pyridinamine1004294-58-9 3-Amino-2-bromo-6-chloropyridine1050501-88-6 5-Bromo-6-chloro-3-pyridinamine130284-53-6 3-Amino-6-bromo-2-chloropyridine169833-70-9 3-Bromo-2-chloropyridin-4-amine215364-85-5 3-Bromo-5-chloropyridin-2-amine26163-03-1 5-Bromo-6-chloro-2-pyridinamine358672-65-8 5-Bromo-3-chloropyridin-2-amine38185-55-6

Elsewhere

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