4-Bromo-2,6-diethyl-pyridine

C₉H₁₂BrNCAS 877133-54-5214.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂BrN
Molar mass: 214.11 g/mol
Exact mass: 213.0153 Da
logP: 2.97Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

877133-54-5

SMILES

CCC1=CC(=CC(=N1)CC)Br

InChIKey

QAIRPCMWTLMPCW-UHFFFAOYSA-N

InChI

InChI=1S/C9H12BrN/c1-3-8-5-7(10)6-9(4-2)11-8/h5-6H,3-4H2,1-2H3

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Names and synonyms

1 names

4-Bromo-2,6-diethylpyridine

Work with 4-Bromo-2,6-diethyl-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

4-Bromo-2,6-diethylaniline56746-19-145 % similar 1-Bromo-4-ethylbenzene1585-07-541 % similar 2,5-Diethylpyrazine13238-84-140 % similar 1-Bromo-3-ethylbenzene2725-82-840 % similar 1,3,5-Tribromobenzene626-39-138 % similar 2-Amino-6-ethylpyrimidin-4-ol5734-66-737 % similar 2,3-Dimethyl-5-ethylpyrazine15707-34-337 % similar 4-Bromo-4'-ethylbiphenyl58743-79-637 % 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-tert-butylpyridine50488-34-1 2-Bromo-4-isopropylaniline51605-97-1 3-Bromo-2,4,6-trimethylaniline82842-52-2

Elsewhere

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