2-Amino-3-bromo-5-methylpyridine

C₆H₇BrN₂CAS 17282-00-7187.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₇BrN₂
Molar mass: 187.04 g/mol
Exact mass: 185.9793 Da
logP: 1.73Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled12.5% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17282-00-7

SMILES

CC1=CC(=C(N=C1)N)Br

InChIKey

NDPKXEWDWTZBDG-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BrN2/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3,(H2,8,9)

Weigh it out

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

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

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

2,3-Dibromo-5-methylpyridine29232-39-159 % similar 3,5-Dibromo-2-pyridylamine35486-42-159 % similar 3-Chloro-5-methylpyridin-2-amine31430-41-857 % similar 3-Bromo-2-fluoro-5-methylpyridine17282-01-855 % similar 3-Bromo-2-chloro-5-methylpyridine17282-03-055 % similar 3-Bromo-5-chloropyridin-2-amine26163-03-155 % similar 3-Bromo-5-iodo-2-pyridinamine697300-73-555 % similar 3-Bromo-5-fluoro-2-pyridinamine869557-43-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-N-methylpyridin-3-amine1022641-52-6 4-Amino-5-bromo-2-methylpyridine10460-50-1 2-Amino-3-bromo-6-methylpyridine126325-46-0 6-Bromo-2-methyl-3-pyridinamine126325-47-1 4-Bromo-2-methyl-3-pyridinamine126325-48-2 2-Bromo-4-methyl-3-pyridinamine126325-50-6 2-Bromo-6-methyl-3-pyridinamine126325-53-9 6-Bromo-4-methylpyridin-3-amine156118-16-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook