4-(Bromomethyl)-4'-methyl-2,2'-bipyridyl

C₁₂H₁₁BrN₂CAS 81998-05-2263.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₁BrN₂
Molar mass: 263.14 g/mol
Exact mass: 262.0106 Da
logP: 3.35Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

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

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

81998-05-2

SMILES

CC1=CC(=NC=C1)C2=NC=CC(=C2)CBr

InChIKey

HUJZHWSADZZJAB-UHFFFAOYSA-N

InChI

InChI=1S/C12H11BrN2/c1-9-2-4-14-11(6-9)12-7-10(8-13)3-5-15-12/h2-7H,8H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-(Bromomethyl)-4'-methyl-2,2'-bipyridine

Work with 4-(Bromomethyl)-4'-methyl-2,2'-bipyridyl

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

4,4'-Bis(bromomethyl)-2,2'-bipyridine134457-14-075 % similar 4,4′-Dimethyl-2,2′-bipyridine1134-35-664 % similar 3-Methylbenzyl bromide620-13-352 % similar 4-Methyl-2-phenylpyridine3475-21-649 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxaldehyde104704-09-847 % similar 4,4'-Bis(hydroxymethyl)-2,2'-bipyridine109073-77-044 % similar 2-Bromo-4-methylpyridine4926-28-744 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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