5-Bromo-2-iodo-3-methoxypyrazine

C₅H₄BrIN₂OCAS 476622-89-6314.91 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₅H₄BrIN₂O
Molar mass: 314.91 g/mol
Exact mass: 313.8552 Da
logP: 1.85Crippen estimate
Polar surface area: 35.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

476622-89-6

SMILES

COC1=NC(=CN=C1I)Br

InChIKey

NUOPFUYHRPYSNY-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BrIN2O/c1-10-5-4(7)8-2-3(6)9-5/h2H,1H3

Weigh it out

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

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

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-Amino-5-bromo-3-methoxypyrazine5900-13-061 % similar 6-Bromo-2-methoxypyridin-3-amine89466-18-246 % similar 2-Bromo-5-methoxypyrazine143250-10-645 % similar 5-Bromo-3-iodo-2-methoxypyridine578007-66-643 % similar 5-Iodo-2,4-dimethoxypyrimidine52522-99-342 % similar 5-Bromo-2,4-dimethoxypyrimidine56686-16-942 % similar 5-Bromo-2-chloro-4-methoxypyrimidine57054-92-941 % similar 5-Bromo-2-methoxy-3-methylpyridine760207-87-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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