2-Chloropyrimidine-5-boronic acid

C₄H₄BClN₂O₂CAS 1003845-06-4158.35 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₄H₄BClN₂O₂
Molar mass: 158.35 g/mol
Exact mass: 158.0054 Da
logP: -1.19Crippen estimate
Polar surface area: 66.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

1003845-06-4

SMILES

B(C1=CN=C(N=C1)Cl)(O)O

InChIKey

YTCIHPTZKKWKKC-UHFFFAOYSA-N

InChI

InChI=1S/C4H4BClN2O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H

Weigh it out

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

Names and synonyms

1 names

(2-Chloropyrimidin-5-yl)boronic acid

Work with 2-Chloropyrimidine-5-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

(Pyrimidin-5-yl)boronic acid109299-78-750 % similar 6-Chloro-5-methylpyridine-3-boronic acid1003043-40-048 % similar B-(2,6-Dichloro-4-pyridinyl)boronic acid1072951-54-244 % similar 2,5-Dichloropyrimidine22536-67-043 % similar B-(2-Chloro-4-pyridinyl)boronic acid458532-96-243 % similar (4-Chlorophenyl)boronic acid1679-18-142 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-642 % similar (2-Aminopyrimidin-5-yl)boronic acid936250-22-542 % similar

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

Elsewhere

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