4-Isoquinolineboronic acid pinacol ester

C₁₅H₁₈BNO₂CAS 685103-98-4255.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₈BNO₂
Molar mass: 255.12 g/mol
Exact mass: 255.1431 Da
logP: 2.53Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

685103-98-4

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=CC3=CC=CC=C23

InChIKey

LOMKRPABAXIQJL-UHFFFAOYSA-N

InChI

InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3

Weigh it out

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Names and synonyms

1 names

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline

Work with 4-Isoquinolineboronic 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-(1-Naphthylene)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane68716-52-966 % similar 4-Isoquinolineboronic acid192182-56-251 % similar 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-850 % similar 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole915411-02-850 % similar 4-Chloropyridin-3-ylboronic acid, pinacol ester 98452972-15-549 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-047 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-747 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-846 % similar

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

Same formula

Quinoline-3-boronic acid pinacolate171364-85-5

Elsewhere

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