3-Bromo-4-formylpyridine

C₆H₄BrNOCAS 70201-43-3186.01 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 swallowed93.3% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction91.1% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, 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

70201-43-3

SMILES

C1=CN=CC(=C1C=O)Br

InChIKey

NOBDKWLIAQKADB-UHFFFAOYSA-N

InChI

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

Work with 3-Bromo-4-formylpyridine

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-Hydroxyisonicotinaldehyde1849-54-355 % similar 3-Fluoroisonicotinaldehyde40273-47-055 % similar 3-Amino-pyridine-4-carbaldehyde55279-29-355 % similar 3-Chloro-4-pyridinecarboxaldehyde72990-37-555 % similar 3-Methyl-4-pyridinecarboxaldehyde74663-96-055 % similar 2-Bromobenzaldehyde6630-33-754 % similar 3,4-Dibromopyridine13534-90-252 % similar 3,5-Dibromopyridine-4-carboxaldehyde70201-42-252 % 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-Bromopyridine-2-carbaldehyde34160-40-2

Elsewhere

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