chempirical

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

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

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

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

2-Fluoro-3-pyridinecarboxaldehyde36404-90-755 % similar 2-Bromobenzaldehyde6630-33-748 % similar 2-Bromo-3-methylpyridine3430-17-945 % similar 2-Bromo-3-pyridinol6602-32-045 % similar Pyridine-2-carbaldehyde1121-60-442 % similar 3-Hydroxy-2-pyridinecarboxaldehyde1849-55-441 % similar 2-Bromo-3-methoxypyridine24100-18-341 % similar 2-(4-Pyridinyl)benzaldehyde176526-00-440 % 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 6-Bromo-2-pyridinecarboxaldehyde34160-40-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook