3-Bromo-2-pyridinecarboxaldehyde

C₆H₄BrNOCAS 405174-97-2186.01 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
logP: 1.66Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

405174-97-2

SMILES

C1=CC(=C(N=C1)C=O)Br

InChIKey

DCOPXKMVVJNPSW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromopyridine-2-carbaldehyde

Work with 3-Bromo-2-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

3-Hydroxy-2-pyridinecarboxaldehyde1849-55-457 % similar 3-Fluoro-2-pyridinecarboxaldehyde31224-43-857 % similar 3-Methyl-2-pyridinecarboxaldehyde55589-47-457 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-152 % similar 3-Nitropyridine-2-carbaldehyde10261-94-649 % similar 2,3-Dibromopyridine13534-89-946 % similar 2,6-Dibromobenzaldehyde67713-23-946 % similar 2-Bromobenzaldehyde6630-33-745 % 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 6-Bromo-3-pyridinecarboxaldehyde149806-06-4 4-Bromopyridine-3-carbaldehyde154105-64-3 5-Bromopyridine-2-carbaldehyde31181-90-5 6-Bromo-2-pyridinecarboxaldehyde34160-40-2

Elsewhere

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