4-Bromopyridine-3-carbaldehyde

C₆H₄BrNOCAS 154105-64-3186.01 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 swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

154105-64-3

SMILES

C1=CN=CC(=C1Br)C=O

InChIKey

WKYVGBPCXOPWEA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Bromopyridine-3-carboxaldehyde

Work with 4-Bromopyridine-3-carbaldehyde

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

4-Chloropyridine-3-carboxaldehyde114077-82-655 % similar 4-Aminonicotinaldehyde42373-30-855 % similar 2-Bromobenzaldehyde6630-33-754 % similar 3,4-Dibromopyridine13534-90-252 % similar 3-Hydroxyisonicotinaldehyde1849-54-350 % similar 3-Fluoroisonicotinaldehyde40273-47-050 % similar 4-Bromo-3-methylpyridine10168-00-045 % similar 4-Bromopyridin-3-ol161417-28-345 % 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 5-Bromopyridine-2-carbaldehyde31181-90-5 6-Bromo-2-pyridinecarboxaldehyde34160-40-2 3-Bromo-2-pyridinecarboxaldehyde405174-97-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook