4-Bromopyridine-2-carbaldehyde

C6H4BrNOCAS 131747-63-2186.01 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 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Methylpyridine-2-carbaldehyde53547-60-755 % similar 4-Chloropicolinaldehyde63071-13-655 % similar 4,4′-Dibromo-2,2′-bipyridine18511-71-250 % similar 2,4-Dibromopyridine58530-53-348 % similar Pyridine-2-carbaldehyde1121-60-447 % similar 4-Bromo-2-methoxypyridine100367-39-345 % similar 4-Bromo-2-fluoropyridine128071-98-745 % similar 4-Bromo-2-methylpyridine22282-99-145 % 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 4-Bromopyridine-3-carbaldehyde154105-64-3 5-Bromopyridine-2-carbaldehyde31181-90-5 6-Bromopyridine-2-carbaldehyde34160-40-2 3-Bromo-2-pyridinecarboxaldehyde405174-97-2

Elsewhere

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