2-Acetyl-3-fluoropyridine

C7H6FNOCAS 87674-20-2139.13 g/mol

Open in Covalent MOL file
ONF
Aryl halideKetone

Properties

Molecular formula
C7H6FNO
Molar mass
139.13 g/mol
Exact mass
139.0433 Da
logP
1.42Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
87674-20-2
SMILES
CC(=O)C1=C(C=CC=N1)F
InChIKey
CCZMVVFNNQQTFC-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO/c1-5(10)7-6(8)3-2-4-9-7/h2-4H,1H3

Weigh it out

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

Work with 2-Acetyl-3-fluoropyridine

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-Fluoropyridine-2-carboxylic acid152126-31-359 % similar Methyl 3-fluoropyridine-2-carboxylate869108-35-058 % similar 2-Acetyl-3-pyridinecarboxylic acid89942-59-654 % similar 1-(2,6-Difluorophenyl)ethanone13670-99-053 % similar 2′-Fluoroacetophenone445-27-252 % similar 2',3'-Difluoroacetophenone18355-80-147 % similar 2-Acetylpyridine1122-62-947 % similar 2-Acetyl-3-methylpyrazine23787-80-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluorobenzamide445-28-3 3-Fluorobenzamide455-37-8 [C(Z)]-4-Fluorobenzaldehyde oxime588-95-4 4-Amino-2-fluorobenzaldehyde777089-27-7 4-Fluorobenzamide824-75-9

Elsewhere

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