4-Bromopyridine-2-carbaldehyde

C₆H₄BrNOCAS 131747-63-2186.01 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₄BrNO
Molar mass: 186.01 g/mol
Exact mass: 184.9476 Da
logP: 1.66Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

131747-63-2

SMILES

C1=CN=C(C=C1Br)C=O

InChIKey

CKVQWOKUEZYWRQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrNO/c7-5-1-2-8-6(3-5)4-9/h1-4H

Weigh it out

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

Work with 4-Bromopyridine-2-carbaldehyde

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′-Dibromo-2,2′-bipyridine18511-71-250 % similar Pyridine-2-carbaldehyde1121-60-447 % similar 4-Bromo-2-methoxypyridine100367-39-345 % similar 4-Bromo-2-fluoropyridine128071-98-745 % similar 3-Bromobenzaldehyde3132-99-844 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-742 % similar 4-Bromo-2-pyridinemethanol131747-45-041 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-341 % similar

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

Same formula

5-Bromo-3-pyridinecarboxaldehyde113118-81-3 2-Bromo-4-pyridinecarboxaldehyde118289-17-1 2-Bromonicotinaldehyde128071-75-0 6-Bromo-3-pyridinecarboxaldehyde149806-06-4 6-Bromo-2-pyridinecarboxaldehyde34160-40-2

Elsewhere

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