2-Bromo-7-iodo-5H-pyrrolo(2,3-b)pyrazine

C6H3BrIN3CAS 875781-44-5323.92 g/mol

Open in Covalent MOL file
NNNHBrI
Aryl halide

Properties

Molecular formula
C6H3BrIN3
Molar mass
323.92 g/mol
Exact mass
322.8555 Da
logP
2.33Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
875781-44-5
SMILES
C1=C(C2=NC(=CN=C2N1)Br)I
InChIKey
ULGMTONBTOMHOK-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrIN3/c7-4-2-10-6-5(11-4)3(8)1-9-6/h1-2H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names
  • 2-Bromo-7-iodo-5H-pyrrolo[2,3-B]pyrazine

Work with 2-Bromo-7-iodo-5H-pyrrolo(2,3-b)pyrazine

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-3-iodo-1H-pyrrolo(2,3-b)pyridine757978-18-046 % similar 5-Bromo-4,7-diazaindole875781-43-442 % similar 3-Iodo-7-azaindole23616-57-141 % similar 4-Chloro-3-iodo-1H-pyrrolo[2,3-B]pyridine869335-73-938 % similar 5-Bromo-2-iodo-3-methoxypyrazine476622-89-636 % similar 2-Bromo-5-iodopyrazine622392-04-535 % similar 2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine1012785-51-135 % similar 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine875781-18-3

Elsewhere

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