2-Bromonicotinaldehyde

C6H4BrNOCAS 128071-75-0186.01 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 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
128071-75-0
SMILES
C1=CC(=C(N=C1)Br)C=O
InChIKey
GNFWMEFWZWXLIN-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO/c7-6-5(4-9)2-1-3-8-6/h1-4H

Weigh it out

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Names and synonyms

1 names
  • 2-Bromo-3-formylpyridine

Work with 2-Bromonicotinaldehyde

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

8-Quinolinecarboxaldehyde38707-70-958 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-355 % similar 2-Fluoro-3-pyridinecarboxaldehyde36404-90-755 % similar 2-Methylpyridine-3-carbaldehyde60032-57-755 % similar 2-Amino-3-pyridinecarboxaldehyde7521-41-755 % similar Quinoline-5-carboxaldehyde22934-41-452 % similar 2,3-Dibromopyridine13534-89-950 % similar 2,6-Dibromopyridine-3-carboxaldehyde55304-83-150 % 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 4-Bromopyridine-2-carbaldehyde131747-63-2 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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