chempirical

5-Bromopyridine-2-carbaldehyde

C6H4BrNOCAS 31181-90-5186.01 g/mol

Open in Covalent MOL file
NBrO
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
31181-90-5
SMILES
C1=CC(=NC=C1Br)C=O
InChIKey
ZQVLPMNLLKGGIU-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO/c7-5-1-2-6(4-9)8-3-5/h1-4H

Weigh it out

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Work with 5-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

5-Chloropyridine-2-carboxaldehyde31181-89-253 % similar 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-550 % similar 5-Methoxypicolinaldehyde22187-96-848 % similar 5,5'-Dibromo-2,2'-bipyridine15862-18-748 % similar 4-Bromobenzaldehyde1122-91-446 % similar 2,5-Dibromopyridine624-28-246 % similar Pyridine-2-carbaldehyde1121-60-443 % similar 5-Bromo-2-hydroxypyridine13466-38-143 % 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 4-Bromopyridine-2-carbaldehyde131747-63-2 6-Bromo-3-pyridinecarboxaldehyde149806-06-4 4-Bromopyridine-3-carbaldehyde154105-64-3 6-Bromo-2-pyridinecarboxaldehyde34160-40-2 3-Bromo-2-pyridinecarboxaldehyde405174-97-2

Elsewhere

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