2-Bromo-4-pyridinecarboxaldehyde

C₆H₄BrNOCAS 118289-17-1186.01 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₄BrNO
Molar mass: 186.01 g/mol
Exact mass: 184.9476 Da
Melting point: 52.6–53.5 °C
logP: 1.66Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed89.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

118289-17-1

SMILES

O=Cc1ccnc(Br)c1

InChIKey

RTWLIQFKXMWEJY-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrNO/c7-6-3-5(4-9)1-2-8-6/h1-4H

Weigh it out

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

Names and synonyms

4 names

4-Pyridinecarboxaldehyde, 2-bromo-
2-Bromo-4-formylpyridine
2-Bromoisonicotinaldehyde
2-Bromopyridine-4-carbaldehyde

Work with 2-Bromo-4-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'-Bipyridine-4 4'-dicarboxaldehyde99970-84-061 % similar 2-Chloro-4-pyridinecarboxaldehyde101066-61-955 % similar 2-Methylisonicotinaldehyde63875-01-455 % similar 4-Formyl-2-pyridinecarbonitrile131747-70-150 % similar 2-Methoxypyridine-4-carbaldehyde72716-87-150 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxaldehyde104704-09-849 % similar 2,4-Dibromopyridine58530-53-348 % similar Quinoxaline-6-carbaldehyde130345-50-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-3-pyridinecarboxaldehyde113118-81-3 2-Bromonicotinaldehyde128071-75-0 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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