5-Fluoro-2-methylpyridine

C6H6FNCAS 31181-53-0111.12 g/mol

Open in Covalent MOL file
NF
Aryl halide

Properties

Molecular formula
C6H6FN
Molar mass
111.12 g/mol
Exact mass
111.0484 Da
logP
1.53Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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
31181-53-0
SMILES
CC1=NC=C(C=C1)F
InChIKey
LXAHHHIGZXPRKQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6FN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3

Weigh it out

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

Work with 5-Fluoro-2-methylpyridine

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

2,5-Dimethylpyridine589-93-552 % similar 2,5-Difluoropyridine84476-99-352 % similar 2-Methoxy-5-fluoropyridine51173-04-748 % similar 5-Hydroxy-2-methylpyridine1121-78-448 % similar 5-Fluoro-2-iodopyridine159870-80-148 % similar 2-Amino-5-fluoropyridine21717-96-448 % similar 2-Chloro-5-fluoropyridine31301-51-648 % similar 5-Bromo-2-methylpyridine3430-13-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-2-methylpyridine15931-15-4 2-Fluoro-3-methylpyridine2369-18-8 2-Fluoro-5-methylpyridine2369-19-9 2-Fluoroaniline348-54-9 4-Fluoroaniline371-40-4 3-Fluoroaniline372-19-0 3-Fluoro-4-methylpyridine399-88-2 3-Fluoro-5-methylpyridine407-21-6

Elsewhere

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