Pyridazine-4-carbaldehyde

C₅H₄N₂OCAS 50901-42-3108.10 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₅H₄N₂O
Molar mass: 108.10 g/mol
Exact mass: 108.0324 Da
logP: 0.29Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed60% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction60% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50901-42-3

SMILES

C1=CN=NC=C1C=O

InChIKey

BZORCBQGFKOHMY-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N2O/c8-4-5-1-2-6-7-3-5/h1-4H

Weigh it out

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

Work with Pyridazine-4-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

Pyridine-4-carbaldehyde872-85-554 % similar Pyridine-3-carbaldehyde500-22-152 % similar 2,2'-Bipyridyl-5,5'-dialdehyde135822-72-948 % similar 2 2'-Bipyridine-4 4'-dicarboxaldehyde99970-84-046 % similar 1,4-Benzenedicarboxaldehyde623-27-845 % similar 6-Hydroxynicotinaldehyde106984-91-243 % similar 6-Bromo-3-pyridinecarboxaldehyde149806-06-443 % similar 2-Chloropyridine-5-carbaldehyde23100-12-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrimidine-5-carboxaldehyde10070-92-5 Pyrimidine-4-carboxaldehyde2435-50-9 2-Pyrimidinecarboxaldehyde27427-92-5 Pyrazine-2-carbaldehyde5780-66-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook