3,5-Dibromopyridine-4-carboxaldehyde

C₆H₃Br₂NOCAS 70201-42-2264.90 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₃Br₂NO
Molar mass: 264.90 g/mol
Exact mass: 262.8581 Da
logP: 2.42Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.7% of notifiers
H315 Causes skin irritation97.7% of notifiers
H317 May cause an allergic skin reaction93.2% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.5% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

70201-42-2

SMILES

C1=C(C(=C(C=N1)Br)C=O)Br

InChIKey

WPBYVMDYYFWYAY-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Br2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H

Weigh it out

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

Names and synonyms

1 names

3,5-Dibromo-4-pyridinecarboxaldehyde

Work with 3,5-Dibromopyridine-4-carboxaldehyde

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

2,6-Dibromobenzaldehyde67713-23-958 % similar 3-Bromo-4-formylpyridine70201-43-352 % similar 3,5-Dichloro-4-formyl pyridine136590-83-548 % similar 4-Bromopyridine-3-carbaldehyde154105-64-347 % similar 3,4,5-Tribromopyridine2457-48-946 % similar 5-Bromo-3-pyridinecarboxaldehyde113118-81-343 % similar 2-Bromo-6-hydroxybenzaldehyde22532-61-243 % similar 2-Bromo-6-chlorobenzaldehyde64622-16-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dibromopyridine-3-carboxaldehyde55304-83-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook