5-Fluoro-2-methoxynicotinaldehyde

C₇H₆FNO₂CAS 351410-62-3155.13 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₇H₆FNO₂
Molar mass: 155.13 g/mol
Exact mass: 155.0383 Da
logP: 1.04Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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 the 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

351410-62-3

SMILES

COC1=C(C=C(C=N1)F)C=O

InChIKey

YAGPZRLCMRMSFP-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-4H,1H3

Weigh it out

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Work with 5-Fluoro-2-methoxynicotinaldehyde

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

5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-362 % similar 3-Bromo-5-fluoro-2-methoxypyridine884494-81-954 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-153 % similar 5-Fluoro-2-methoxynicotinic acid884494-82-051 % similar 2-Methoxypyridine-3-carbaldehyde71255-09-950 % similar 4-Fluoro-2-methoxybenzaldehyde450-83-949 % similar 2,4-Dimethoxypyrimidine-5-carbaldehyde52606-02-749 % similar 4,5-Difluoro-2-methoxybenzaldehyde145742-34-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 6-Fluoronicotinic acid methyl ester1427-06-1 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 1-Fluoro-3-methyl-2-nitrobenzene3013-27-2 2-Amino-6-fluorobenzoic acid434-76-4 2-Fluoro-1-methyl-3-nitrobenzene437-86-5 2-Amino-5-fluorobenzoic acid446-08-2

Elsewhere

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