chempirical

(Pyrimidin-5-yl)boronic acid

C4H5BN2O2CAS 109299-78-7123.91 g/mol

Open in Covalent MOL file
BNNHOHO
Boronic acid

Properties

Molecular formula
C4H5BN2O2
Molar mass
123.91 g/mol
Exact mass
124.0444 Da
logP
-1.84Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
109299-78-7
SMILES
B(C1=CN=CN=C1)(O)O
InChIKey
HZFPPBMKGYINDF-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BN2O2/c8-5(9)4-1-6-3-7-2-4/h1-3,8-9H

Weigh it out

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

Names and synonyms

1 names
  • 5-Pyrimidinylboronic acid

Work with (Pyrimidin-5-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

Pyridin-3-ylboronic acid1692-25-752 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-450 % similar (5-Fluoropyridin-3-yl)boronic acid872041-86-648 % similar Phenylboronic acid98-80-639 % similar B-[4-(3-Pyridinyl)phenyl]boronic acid170230-28-139 % similar B-(2,6-Dichloro-4-pyridinyl)boronic acid1072951-54-237 % similar 5-Pyrimidinemethanol25193-95-736 % similar (4-Hydroxyphenyl)boronic acid71597-85-836 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook