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

C₁₄H₁₈BNO₂CAS 269410-24-4243.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₈BNO₂
Molar mass: 243.11 g/mol
Exact mass: 243.1431 Da
Melting point: 91–92 °C
logP: 2.47Crippen estimate
Polar surface area: 34.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

269410-24-4

SMILES

CC1(C)OB(c2ccc3[nH]ccc3c2)OC1(C)C

InChIKey

FATPQDPUKVVCLT-UHFFFAOYSA-N

InChI

InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-9,16H,1-4H3

Weigh it out

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

Names and synonyms

4 names

1H-Indole, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indole
2-(1H-Indol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
5-Indolylboronic acid pinacol ester

Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

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

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole1007206-54-352 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran519054-55-851 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine827614-64-250 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol1054483-78-146 % similar 5-Methylindole614-96-044 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-644 % similar 5-Methoxyindole1006-94-644 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-744 % similar

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

Same formula

2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile138500-86-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook