chempirical

B-(6-Amino-3-pyridinyl)boronic acid

C5H7BN2O2CAS 851524-96-4137.93 g/mol

Open in Covalent MOL file
HNBOHOHHN
Boronic acid

Properties

Molecular formula
C5H7BN2O2
Molar mass
137.93 g/mol
Exact mass
138.0601 Da
logP
-1.83Crippen estimate
Polar surface area
80.1 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
1

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
851524-96-4
SMILES
N=c1ccc(B(O)O)c[nH]1
InChIKey
NPJBPJIQMCHZLJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H7BN2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H,(H2,7,8)

Weigh it out

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

Names and synonyms

5 names
  • Boronic acid, B-(6-amino-3-pyridinyl)-
  • Boronic acid, (6-amino-3-pyridinyl)-
  • (6-Aminopyridin-3-yl)boronic acid
  • (2-Aminopyridin-5-yl)boronic acid
  • 6-Amino-3-pyridineboronic acid

Work with B-(6-Amino-3-pyridinyl)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

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine827614-64-249 % similar 1,4-Benzenediboronic acid4612-26-446 % similar (2-Aminopyrimidin-5-yl)boronic acid936250-22-545 % similar 1H-Pyrrol-3-ylboronic acid763120-55-445 % similar 2-Amino-5-bromopyridine1072-97-543 % similar 2-Amino-5-chloropyridine1072-98-643 % similar 2-Amino-5-methylpyridine1603-41-443 % similar 2-Amino-5-iodopyridine20511-12-043 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook