2-(5-Bromo-2-thienyl)pyridine

C₉H₆BrNSCAS 123784-07-6240.12 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₉H₆BrNS
Molar mass: 240.12 g/mol
Exact mass: 238.9404 Da
logP: 3.57Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

123784-07-6

SMILES

C1=CC=NC(=C1)C2=CC=C(S2)Br

InChIKey

AKNKWLQVFAYRRO-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrNS/c10-9-5-4-8(12-9)7-3-1-2-6-11-7/h1-6H

Weigh it out

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

Work with 2-(5-Bromo-2-thienyl)pyridine

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-(Pyridin-2-yl)thiophene-2-carbaldehyde132706-12-853 % similar 5,5'-Dibromo-2,2'-bithiophene4805-22-552 % similar 2-Bromo-5-phenylthiophene29488-24-252 % similar 5,5''-Dibromo-[2,2':5',2"]terthiohene98057-08-050 % similar 5-(2-Pyridyl)thiophene-2-carboxylic acid119082-97-249 % similar 5-(2-Pyridyl)thiophene-2-sulfonyl chloride151858-64-949 % similar 2-(2-Thienyl)pyridine3319-99-148 % similar 2,2'-Bipyridine366-18-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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