6-Bromo-3-pyridinecarboxaldehyde

C6H4BrNOCAS 149806-06-4186.01 g/mol

Open in Covalent MOL file
OBrN
AldehydeAryl halide

Properties

Molecular formula
C6H4BrNO
Molar mass
186.01 g/mol
Exact mass
184.9476 Da
Melting point
100.7–102.2 °C
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 47 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
149806-06-4
SMILES
O=Cc1ccc(Br)nc1
InChIKey
PVUKGNBRJFTFNJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO/c7-6-2-1-5(4-9)3-8-6/h1-4H

Weigh it out

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

Names and synonyms

7 names
  • 3-Pyridinecarboxaldehyde, 6-bromo-
  • 2-Bromo-5-pyridinecarboxaldehyde
  • 6-Bromonicotinaldehyde
  • 2-Bromo-5-formylpyridine
  • 3-Formyl-6-bromopyridine
  • 6-Bromopyridine-3-carbaldehyde
  • 2-Bromopyridine-5-carbaldehyde

Work with 6-Bromo-3-pyridinecarboxaldehyde

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

2,2'-Bipyridyl-5,5'-dialdehyde135822-72-959 % similar 6-Hydroxynicotinaldehyde106984-91-253 % similar 2-Chloropyridine-5-carbaldehyde23100-12-153 % similar 6-Methyl-3-pyridinecarboxaldehyde53014-84-953 % similar 6-Aminonicotinaldehyde69879-22-753 % similar 6-(Trifluoromethyl)pyridine-3-carboxaldehyde386704-12-748 % similar 6-Methoxypyridine-3-carbaldehyde65873-72-548 % similar 4-Bromobenzaldehyde1122-91-446 % 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 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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