5-Methoxypicolinaldehyde

C7H7NO2CAS 22187-96-8137.14 g/mol

Open in Covalent MOL file
ONO
AldehydeEther

Properties

Molecular formula
C7H7NO2
Molar mass
137.14 g/mol
Exact mass
137.0477 Da
logP
0.90Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
22187-96-8
SMILES
COC1=CN=C(C=C1)C=O
InChIKey
CTYUCLSCBVSTAA-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-10-7-3-2-6(5-9)8-4-7/h2-5H,1H3

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Names and synonyms

1 names
  • 2-Formyl-5-methoxypyridine

Work with 5-Methoxypicolinaldehyde

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-Anisaldehyde123-11-552 % similar 2,5-Dimethoxy pyridine867267-24-152 % similar Methyl 6-formylpyridine-3-carboxylate10165-86-350 % similar 2-Amino-5-methoxypyridine10167-97-248 % similar 2-Bromo-5-methoxypyridine105170-27-248 % similar 2-Chloro-5-methoxypyridine139585-48-148 % similar 5-Chloropyridine-2-carboxaldehyde31181-89-248 % similar 5-Bromopyridine-2-carbaldehyde31181-90-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Anthranilic acid118-92-3 Benzodioxol-5-amine14268-66-7 4-Aminobenzoic acid150-13-0 3-Acetoxypyridine17747-43-2 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 6-Methylpyridine-3-carboxylic acid3222-47-7

Elsewhere

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