2-Benzyloxy-5-bromopyridine

C₁₂H₁₀BrNOCAS 83664-33-9264.12 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₂H₁₀BrNO
Molar mass: 264.12 g/mol
Exact mass: 262.9946 Da
logP: 3.42Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

83664-33-9

SMILES

C1=CC=C(C=C1)COC2=NC=C(C=C2)Br

InChIKey

LXKTVNFZAFTUNZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H10BrNO/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2

Weigh it out

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

Work with 2-Benzyloxy-5-bromopyridine

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

6-(Benzyloxy)pyridin-3-ol725256-57-566 % similar 5-Bromo-2-ethoxypyridine55849-30-457 % similar 6-Benzyloxypyridine-3-boronic acid929250-35-156 % similar 1-Bromo-4-phenylmethoxybenzene6793-92-656 % similar 5-Bromo-2-methoxypyridine13472-85-049 % similar 1-(Benzyloxy)-3-bromobenzene53087-13-147 % similar 5-Bromo-2-(1-methylethoxy)pyridine870521-31-645 % similar 5-Bromo-2-phenylpyridine27012-25-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Benzyloxy)-5-bromopyridine130722-95-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook