3-Fluoroisonicotinaldehyde

C6H4FNOCAS 40273-47-0125.10 g/mol

Open in Covalent MOL file
NOF
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
40273-47-0
SMILES
C1=CN=CC(=C1C=O)F
InChIKey
KLKQXQXSZCNWLZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO/c7-6-3-8-2-1-5(6)4-9/h1-4H

Weigh it out

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

Work with 3-Fluoroisonicotinaldehyde

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

3-Hydroxyisonicotinaldehyde1849-54-355 % similar 3-Amino-pyridine-4-carbaldehyde55279-29-355 % similar 3-Bromo-4-formylpyridine70201-43-355 % similar 3-Chloro-4-pyridinecarboxaldehyde72990-37-555 % similar 3-Methyl-4-pyridinecarboxaldehyde74663-96-055 % similar 2-Fluorobenzaldehyde446-52-652 % similar 4-Chloropyridine-3-carboxaldehyde114077-82-650 % similar 4-Bromopyridine-3-carbaldehyde154105-64-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Fluoropyridine-2-carboxaldehyde208110-81-0 3-Fluoro-2-pyridinecarboxaldehyde31224-43-8 2-Fluoro-3-pyridinecarboxaldehyde36404-90-7 5-Fluoropyridine-3-carbaldehyde39891-04-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook