chempirical

3-Fluoro-5-methylpyridine

C6H6FNCAS 407-21-6111.12 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

Identifiers

CAS number
407-21-6
SMILES
CC1=CC(=CN=C1)F
InChIKey
CKQXPRSCSFUGRC-UHFFFAOYSA-N
InChI
InChI=1S/C6H6FN/c1-5-2-6(7)4-8-3-5/h2-4H,1H3

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

Work with 3-Fluoro-5-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

3,5-Lutidine591-22-062 % similar 3-Fluoro-5-hydroxypyridine209328-55-254 % similar 3,5-Difluorotoluene117358-51-752 % similar 5-Fluoro-M-xylene461-97-252 % similar 5-Fluoro-3-pyridinamine210169-05-448 % similar 3-Bromo-5-methylpyridine3430-16-848 % similar 5-Methyl-3-pyridinamine3430-19-148 % similar 3-Bromo-5-fluoropyridine407-20-548 % 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 5-Fluoro-2-methylpyridine31181-53-0 2-Fluoroaniline348-54-9 4-Fluoroaniline371-40-4 3-Fluoroaniline372-19-0 3-Fluoro-4-methylpyridine399-88-2

Elsewhere

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