chempirical

(6-Fluoro-5-methylpyridin-3-yl)boronic acid

C6H7BFNO2CAS 904326-92-7154.94 g/mol

Open in Covalent MOL file
BOHOHNF
Aryl halideBoronic acid

Properties

Molecular formula
C6H7BFNO2
Molar mass
154.94 g/mol
Exact mass
155.0554 Da
logP
-0.79Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
904326-92-7
SMILES
Cc1cc(B(O)O)cnc1F
InChIKey
XCWIMBMPJGQNHG-UHFFFAOYSA-N
InChI
InChI=1S/C6H7BFNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Boronic acid, B-(6-fluoro-5-methyl-3-pyridinyl)-
  • Boronic acid, (6-fluoro-5-methyl-3-pyridinyl)-
  • B-(6-Fluoro-5-methyl-3-pyridinyl)boronic acid
  • (2-Fluoro-3-methylpyridin-5-yl)boronic acid
  • 2-Fluoro-3-methylpyridine-5-boronic acid

Work with (6-Fluoro-5-methylpyridin-3-yl)boronic acid

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

6-Bromo-5-methylpyridine-3-boronic acid1003043-34-259 % similar 6-Chloro-5-methylpyridine-3-boronic acid1003043-40-059 % similar 5-Chloro-2-fluoro-3-methylpyridine375368-84-650 % similar 3,4-Dimethylphenylboronic acid55499-43-945 % similar (5-Fluoropyridin-3-yl)boronic acid872041-86-643 % similar 2-Fluoro-3-methyl-5-nitropyridine19346-46-443 % similar Boronic acid, [6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-446299-81-641 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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