5,8-Dibromoisoquinoline

C9H5Br2NCAS 81045-39-8286.95 g/mol

Open in Covalent MOL file
NBrBr
Aryl halide

Properties

Molecular formula
C9H5Br2N
Molar mass
286.95 g/mol
Exact mass
284.8789 Da
logP
3.76Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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
81045-39-8
SMILES
C1=CC(=C2C=NC=CC2=C1Br)Br
InChIKey
KNBALCRXZUTMBP-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Br2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H

Weigh it out

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

Work with 5,8-Dibromoisoquinoline

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-Bromoisoquinoline34784-04-859 % similar 8-Bromoisoquinoline63927-22-059 % similar 5-Bromo-8-nitroisoquinoline63927-23-158 % similar 3,4-Dibromopyridine13534-90-254 % similar 3-Bromo-1H-pyrrolo[2,3-C]pyridine67058-76-850 % similar 1,4-Dibromonaphthalene83-53-448 % similar 4-Bromo-3-methylpyridine10168-00-046 % similar 3-Bromo-4-fluoropyridine116922-60-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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