6-Fluoropyridine-2-carboxaldehyde

C₆H₄FNOCAS 208110-81-0125.10 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₄FNO
Molar mass: 125.10 g/mol
Exact mass: 125.0277 Da
logP: 1.03Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H227 Combustible liquid25% of notifiers
H301 Toxic if swallowed25% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation75% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

208110-81-0

SMILES

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

InChIKey

HENWRHPVXMPQNF-UHFFFAOYSA-N

InChI

InChI=1S/C6H4FNO/c7-6-3-1-2-5(4-9)8-6/h1-4H

Weigh it out

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

Names and synonyms

1 names

2-Fluoro-6-formylpyridine

Work with 6-Fluoropyridine-2-carboxaldehyde

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-Diformylpyridine5431-44-767 % similar 2,2'-Bipyridine-6,6'-dicarbaldehyde49669-26-359 % similar 6-Chloropyridine-2-carbaldehyde54087-03-555 % similar 2,6-Difluoropyridine1513-65-154 % similar 6-Methyl-2-pyridinecarboxaldehyde1122-72-153 % similar 6-Bromopyridine-2-carbaldehyde34160-40-253 % similar 6-Methoxy-2-pyridinecarboxaldehyde54221-96-448 % similar 2,6-Difluoronicotinaldehyde155601-65-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-2-pyridinecarboxaldehyde31224-43-8 2-Fluoro-3-pyridinecarboxaldehyde36404-90-7 5-Fluoropyridine-3-carbaldehyde39891-04-8 3-Fluoroisonicotinaldehyde40273-47-0

Elsewhere

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