5-Bromo-3-iodo-2-methoxypyridine

C₆H₅BrINOCAS 578007-66-6313.92 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₆H₅BrINO
Molar mass: 313.92 g/mol
Exact mass: 312.8599 Da
logP: 2.46Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

578007-66-6

SMILES

COC1=C(C=C(C=N1)Br)I

InChIKey

ZKVDYKJRRHTPLT-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrINO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3

Weigh it out

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

Work with 5-Bromo-3-iodo-2-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

5-Bromo-2-methoxy-3-methylpyridine760207-87-266 % similar 3,5-Dibromo-2-methoxypyridine13472-60-163 % similar 2-Methoxy-3-fluoro-5-bromopyridine124432-70-859 % similar 2-Methoxy-3-chloro-5-bromopyridine848366-28-959 % similar 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-354 % similar 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine1214377-42-054 % similar 5-Bromo-2-methoxy-3-nitropyridine152684-30-554 % similar 5-Bromo-3-methoxy-2-methylpyridine1150617-80-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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