chempirical

2-Bromo-6-tert-butylpyridine

C9H12BrNCAS 195044-14-5214.11 g/mol

Open in Covalent MOL file
NBr
Aryl halide

Properties

Molecular formula
C9H12BrN
Molar mass
214.11 g/mol
Exact mass
213.0153 Da
logP
3.14Crippen 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
195044-14-5
SMILES
CC(C)(C)C1=NC(=CC=C1)Br
InChIKey
QMVOIXCANJLTGO-UHFFFAOYSA-N
InChI
InChI=1S/C9H12BrN/c1-9(2,3)7-5-4-6-8(10)11-7/h4-6H,1-3H3

Weigh it out

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

Work with 2-Bromo-6-tert-butylpyridine

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

2,6-Di-tert-butylpyridine585-48-867 % similar 2-(6-Bromopyridin-2-yl)propan-2-ol638218-78-763 % similar 2-Bromo-6-(trifluoromethyl)pyridine189278-27-159 % similar 2-Bromo-6-(2-methyl-1,3-dioxolan-2-yl)pyridine49669-14-958 % similar 2,6-Dibromopyridine626-05-154 % similar 2-Bromo-6-methylpyridine5315-25-348 % similar 6,6'-Dibromo-2,2'-dipyridyl49669-22-948 % similar 2-Bromo-6-chloropyridine5140-72-745 % similar

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

Same formula

2-Bromo-4-tert-butylpyridine50488-34-1 2-Bromo-4-isopropylaniline51605-97-1 3-Bromo-2,4,6-trimethylaniline82842-52-2 4-Bromo-2,6-diethyl-pyridine877133-54-5

Elsewhere

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