chempirical

5-Bromo-2-phenylpyridine

C11H8BrNCAS 27012-25-5234.10 g/mol

Open in Covalent MOL file
NBr
Aryl halide

Properties

Molecular formula
C11H8BrN
Molar mass
234.10 g/mol
Exact mass
232.9840 Da
logP
3.51Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
27012-25-5
SMILES
C1=CC=C(C=C1)C2=NC=C(C=C2)Br
InChIKey
PRNGIODVYLTUKH-UHFFFAOYSA-N
InChI
InChI=1S/C11H8BrN/c12-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Work with 5-Bromo-2-phenylpyridine

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

5,5'-Dibromo-2,2'-bipyridine15862-18-767 % similar 6-Phenyl-3-pyridinamine126370-67-053 % similar 5-Methyl-2-phenylpyridine27012-22-253 % similar 2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine23449-08-352 % similar 4-Bromo-P-terphenyl1762-84-150 % similar 5-Bromo-2-(2H-tetrazol-5-yl)pyridine380380-60-950 % similar 4-(4-Bromophenyl)-2,6-diphenylpyrimidine58536-46-250 % similar 4-Bromobiphenyl92-66-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(2-Bromophenyl)pyridine109306-86-7 3-(4-Bromophenyl)pyridine129013-83-8 3-Bromo-5-phenylpyridine142137-17-5 2-Bromo-6-phenylpyridine39774-26-0 4-(4-Bromophenyl)pyridine39795-60-3 2-(3-Bromophenyl)pyridine4373-60-8 2-(4-Bromophenyl)pyriding63996-36-1 3-Bromo-2-phenylpyridine91182-50-2

Elsewhere

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