4,4′-Dibromo-2,2′-bipyridine

C₁₀H₆Br₂N₂CAS 18511-71-2313.98 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₆Br₂N₂
Molar mass: 313.98 g/mol
Exact mass: 311.8898 Da
Melting point: 141–142 °C
logP: 3.67Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301+H311 Toxic if swallowed or in contact with skin50% of notifiers
H301 Toxic if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

18511-71-2

SMILES

Brc1ccnc(-c2cc(Br)ccn2)c1

InChIKey

KIIHBDSNVJRWFY-UHFFFAOYSA-N

InChI

InChI=1S/C10H6Br2N2/c11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-6H

Weigh it out

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

Names and synonyms

3 names

2,2′-Bipyridine, 4,4′-dibromo-
4,4′-Dibromo-2,2′-dipyridine
4,4′-Bromo-2,2′-bipyridine

Work with 4,4′-Dibromo-2,2′-bipyridine

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

4-Bromo-2,2'-bipyridyl14162-95-975 % similar 2,4-Dibromopyridine58530-53-361 % similar 4-Bromo-2-fluoropyridine128071-98-756 % similar 4-Bromo-2-methylpyridine22282-99-156 % similar 4-Bromo-2-chloropyridine73583-37-656 % similar 2-Amino-4-bromopyridine84249-14-956 % similar 4-Bromo-2-methoxypyridine100367-39-350 % similar 4-Bromo-2-pyridinemethanol131747-45-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5,5'-Dibromo-2,2'-bipyridine15862-18-7 6,6'-Dibromo-2,2'-dipyridyl49669-22-9

Elsewhere

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