5-Bromo-2,3-diphenylpyrazine

C₁₆H₁₁BrN₂CAS 243472-70-0311.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₁BrN₂
Molar mass: 311.18 g/mol
Exact mass: 310.0106 Da
logP: 4.57Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from the 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

243472-70-0

SMILES

Brc1cnc(-c2ccccc2)c(-c2ccccc2)n1

InChIKey

UNPRTNCCXQCEEP-UHFFFAOYSA-N

InChI

InChI=1S/C16H11BrN2/c17-14-11-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H

Weigh it out

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

Names and synonyms

2 names

Pyrazine, 5-bromo-2,3-diphenyl-
2-Bromo-5,6-diphenylpyrazine

Work with 5-Bromo-2,3-diphenylpyrazine

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-Chloro-2,3-diphenylpyrazine41270-66-055 % similar 2-Bromoquinoxaline36856-91-450 % similar 2,3-Diphenylquinoxaline1684-14-646 % similar 3-Bromo-2-phenylpyridine91182-50-245 % similar 2-Bromo-6-phenylpyridine39774-26-044 % similar 3-Benzyl-5-bromopyrazin-2-amine174680-55-841 % similar 2,5-Dibromopyrazine23229-26-738 % similar 5-Bromo-2-phenylpyridine27012-25-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,6-diphenylpyrimidine40734-24-5 2-Bromo-4,6-diphenylpyrimidine56181-49-8

Elsewhere

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