chempirical

Pyridin-3-ylboronic acid

C5H6BNO2CAS 1692-25-7122.92 g/mol

Open in Covalent MOL file
HOBHON
Boronic acid

Properties

Molecular formula
C5H6BNO2
Molar mass
122.92 g/mol
Exact mass
123.0492 Da
logP
-1.24Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
1692-25-7
SMILES
OB(O)c1cccnc1
InChIKey
ABMYEXAYWZJVOV-UHFFFAOYSA-N
InChI
InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H

Weigh it out

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

Names and synonyms

7 names
  • Boronic acid, B-3-pyridinyl-
  • 3-Pyridineboronic acid
  • Boronic acid, 3-pyridinyl-
  • B-3-Pyridinylboronic acid
  • 3-Pyridylboronic acid
  • (3-Pyridinyl)boronic acid
  • Dihydroxy(3-pyridyl)borane

Work with Pyridin-3-ylboronic 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

B-[4-(3-Pyridinyl)phenyl]boronic acid170230-28-162 % similar (Pyrimidin-5-yl)boronic acid109299-78-752 % similar Pyridine-3-boronic acid 1,3-propanediol cyclic ester131534-65-152 % similar 3-(Diethylboryl)pyridine89878-14-850 % similar Phenylboronic acid98-80-650 % similar 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine845885-86-146 % similar 3-Hydroxypyridine109-00-244 % similar (5-Fluoropyridin-3-yl)boronic acid872041-86-642 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook