chempirical

3-Fluoro-4-methylpyridine

C6H6FNCAS 399-88-2111.12 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
399-88-2
SMILES
CC1=C(C=NC=C1)F
InChIKey
WZMOEPZZTTWDIA-UHFFFAOYSA-N
InChI
InChI=1S/C6H6FN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3

Weigh it out

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

Work with 3-Fluoro-4-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

3,4-Dimethylpyridine583-58-458 % similar 3-Fluoro-4-iodopyridine22282-75-356 % similar 3-Hydroxy-4-methylpyridine1121-19-350 % similar 4-Amino-3-fluoropyridine2247-88-350 % similar 4-Bromo-3-fluoropyridine2546-52-350 % similar 4-Chloro-3-fluoropyridine2546-56-750 % similar 3-Bromo-4-methylpyridine3430-22-650 % similar 3-Amino-4-methylpyridine3430-27-150 % 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 5-Fluoro-2-methylpyridine31181-53-0 2-Fluoroaniline348-54-9 4-Fluoroaniline371-40-4 3-Fluoroaniline372-19-0 3-Fluoro-5-methylpyridine407-21-6

Elsewhere

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