C-(4-Bromo-pyridin-2-yl)-methylamine

C₆H₇BrN₂CAS 865156-50-9187.04 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: 1.30Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

865156-50-9

SMILES

C1=CN=C(C=C1Br)CN

InChIKey

ZIIMDWQEXYZSMZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BrN2/c7-5-1-2-9-6(3-5)4-8/h1-3H,4,8H2

Weigh it out

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

Names and synonyms

1 names

(4-Bromopyridin-2-yl)methanamine

Work with C-(4-Bromo-pyridin-2-yl)-methylamine

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

4-Bromo-2-pyridinemethanol131747-45-060 % similar (4-Chloropyridin-2-yl)methanamine180748-30-555 % similar 5-Bromo-2-pyridinemethanamine173999-23-052 % similar 4-Bromo-2-fluoropyridine128071-98-750 % similar 4,4′-Dibromo-2,2′-bipyridine18511-71-250 % similar 2-Amino-4-bromopyridine84249-14-950 % similar 2,4-Dibromopyridine58530-53-348 % similar 2-Picolylamine3731-51-947 % 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

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