2-Chloropyrimidine-5-boronic acid pinacol ester

C₁₀H₁₄BClN₂O₂CAS 1003845-08-6240.49 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₀H₁₄BClN₂O₂
Molar mass: 240.49 g/mol
Exact mass: 240.0837 Da
logP: 1.43Crippen estimate
Polar surface area: 44.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1003845-08-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)Cl

InChIKey

VLAPDEKXZLRRKV-UHFFFAOYSA-N

InChI

InChI=1S/C10H14BClN2O2/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(12)14-6-7/h5-6H,1-4H3

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Names and synonyms

1 names

2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Work with 2-Chloropyrimidine-5-boronic acid pinacol ester

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

2-Aminopyrimidine-5-boronic acid pinacol ester402960-38-765 % similar 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine444120-94-964 % similar Pyrimidine-5-boronic acid pinacol ester321724-19-060 % similar 2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-359 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-058 % similar 2-Picoline-5-boronic acid pinacolate610768-32-656 % similar 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-62-054 % similar 3-Chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine865186-94-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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