3-Bromo-5-methoxypyridine

C6H6BrNOCAS 50720-12-2188.02 g/mol

Open in Covalent MOL file
ONBr
Aryl halideEther

Properties

Molecular formula
C6H6BrNO
Molar mass
188.02 g/mol
Exact mass
186.9633 Da
logP
1.85Crippen estimate
Polar surface area
22.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
50720-12-2
SMILES
COC1=CC(=CN=C1)Br
InChIKey
FZWUIWQMJFAWJW-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3

Weigh it out

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

Work with 3-Bromo-5-methoxypyridine

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

1-Bromo-3,5-dimethoxybenzene20469-65-258 % similar 1,3-Dibromo-5-methoxybenzene74137-36-358 % similar 3,5-Dibromopyridine625-92-354 % similar 5-Methoxypyridin-3-ylamine64436-92-653 % similar 3-Bromoanisole2398-37-050 % similar 5-Methoxypyridine-3-boronic acid850991-69-448 % similar 1-Bromo-3-methoxy-5-methylbenzene29578-83-448 % similar 3-Bromo-5-methylpyridine3430-16-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-4-bromophenol100367-37-1 4-Bromo-2-methoxypyridine100367-39-3 2-Bromo-5-methoxypyridine105170-27-2 2-Amino-3-bromophenol116435-77-9 (2-Bromopyridin-4-yl)methanol118289-16-0 (6-Bromo-pyridin-3-yl)-methanol122306-01-8 4-Bromo-2-pyridinemethanol131747-45-0 3-Bromo-2-methoxypyridine13472-59-8

Elsewhere

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