1-(Triisopropylsilyl)pyrrole-3-boronic acid

C13H26BNO2SiCAS 138900-55-7267.25 g/mol

Open in Covalent MOL file
BNSiHOOH
Boronic acid

Properties

Molecular formula
C13H26BNO2Si
Molar mass
267.25 g/mol
Exact mass
267.1826 Da
logP
2.19Crippen estimate
Polar surface area
45.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Hazards

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

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Identifiers

CAS number
138900-55-7
SMILES
B(C1=CN(C=C1)[Si](C(C)C)(C(C)C)C(C)C)(O)O
InChIKey
HUBVAOMVEMGRFA-UHFFFAOYSA-N
InChI
InChI=1S/C13H26BNO2Si/c1-10(2)18(11(3)4,12(5)6)15-8-7-13(9-15)14(16)17/h7-12,16-17H,1-6H3

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Work with 1-(Triisopropylsilyl)pyrrole-3-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

3-Bromo-1-(triisopropylsilyl)pyrrole87630-36-251 % similar 1-(Triisopropylsilyl)pyrrole87630-35-141 % similar 4-(Isopropylthio)benzeneboronic acid380427-38-337 % similar 4-Isopropylphenylboronic acid16152-51-536 % similar [Imidazo[1,2-a]pyridin-6-yl]boronic acid913835-63-934 % similar (4-Isobutylphenyl)boronic acid153624-38-533 % similar 4-Isopropoxybenzeneboronic acid153624-46-533 % similar 1,4-Benzenediboronic acid4612-26-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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