2-Bromo-4-tert-butylpyridine

C₉H₁₂BrNCAS 50488-34-1214.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂BrN
Molar mass: 214.11 g/mol
Exact mass: 213.0153 Da
logP: 3.14Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

50488-34-1

SMILES

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

InChIKey

JOACEYFXFYWUIK-UHFFFAOYSA-N

InChI

InChI=1S/C9H12BrN/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

1 names

2-Bromo-4-(tert-butyl)pyridine

Work with 2-Bromo-4-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

4,4'-Di-tert-butyl-2,2'-bipyridine72914-19-361 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-960 % similar 4-tert-Butyl-2-chloropyridine81167-60-455 % similar 4,4',4''-Tri-tert-butyl-2,2':6',2''-terpyridine115091-29-753 % similar 2-Bromo-4-methylpyridine4926-28-750 % similar 2,4-Dibromopyridine58530-53-348 % similar 4-tert-Butylpyridine3978-81-246 % similar 2-Bromo-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine458532-82-646 % similar

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

Same formula

2-Bromo-6-tert-butylpyridine195044-14-5 2-Bromo-4-isopropylaniline51605-97-1 3-Bromo-2,4,6-trimethylaniline82842-52-2 4-Bromo-2,6-diethyl-pyridine877133-54-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook