2-Methoxypyridine-4-carbaldehyde

C₇H₇NO₂CAS 72716-87-1137.14 g/mol

Open in Covalent MOL file

Aldehyde Ether

Properties

Molecular formula: C₇H₇NO₂
Molar mass: 137.14 g/mol
Exact mass: 137.0477 Da
logP: 0.90Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% 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

72716-87-1

SMILES

COC1=NC=CC(=C1)C=O

InChIKey

VOCKNCWQVHJMAE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Methoxypyridine-4-carboxaldehyde

Work with 2-Methoxypyridine-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

6-Methoxypyridine-3-carbaldehyde65873-72-556 % similar 2 2'-Bipyridine-4 4'-dicarboxaldehyde99970-84-055 % similar 2-Methylisonicotinaldehyde63875-01-455 % similar 2-Methoxy-4-methylpyridine100848-70-252 % similar 4-Bromo-2-methoxypyridine100367-39-350 % similar 2-Chloro-4-pyridinecarboxaldehyde101066-61-950 % similar 2-Bromo-4-pyridinecarboxaldehyde118289-17-150 % similar Veratraldehyde120-14-950 % 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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