6-Methoxy-2-pyridinecarboxaldehyde

C₇H₇NO₂CAS 54221-96-4137.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇NO₂
Molar mass: 137.14 g/mol
Exact mass: 137.0477 Da
Boiling point: 103–104 °C (at 20 Torr)
logP: 0.90Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.9% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

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

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

54221-96-4

SMILES

COc1cccc(C=O)n1

InChIKey

YDNWTNODZDSPNZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO2/c1-10-7-4-2-3-6(5-9)8-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

7 names

2-Pyridinecarboxaldehyde, 6-methoxy-
6-Methoxypyridine-2-carbaldehyde
2-Formyl-6-methoxypyridine
6-Methoxypyridine-2-carboxaldehyde
6-Methoxypyridin-2-carboxaldehyde
2-Methoxy-6-pyridinecarboxaldehyde
6-Methoxypicolinaldehyde

Work with 6-Methoxy-2-pyridinecarboxaldehyde

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-Diformylpyridine5431-44-759 % similar 2,6-Dimethoxypyridine6231-18-159 % similar 2,2'-Bipyridine-6,6'-dicarbaldehyde49669-26-353 % similar 6-Methyl-2-pyridinecarboxaldehyde1122-72-153 % similar 2-Chloro-6-methoxypyridine17228-64-750 % similar 6-Chloropyridine-2-carbaldehyde54087-03-550 % similar 2-Fluoro-6-methoxypyridine116241-61-348 % similar 2-Amino-6-methoxypyridine17920-35-348 % 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 5-Methoxypicolinaldehyde22187-96-8 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3

Elsewhere

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