chempirical

2-Methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuro[2,3-B]pyridine

C18H20BNO3CAS 1609374-04-0309.17 g/mol

Open in Covalent MOL file
BOOON
Boronic ester

Properties

Molecular formula
C18H20BNO3
Molar mass
309.17 g/mol
Exact mass
309.1536 Da
logP
3.59Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
0 / 4
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
1609374-04-0
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C4=C(O3)N=C(C=C4)C
InChIKey
FPPVNLSNFDMQGR-UHFFFAOYSA-N
InChI
InChI=1S/C18H20BNO3/c1-11-9-10-13-12-7-6-8-14(15(12)21-16(13)20-11)19-22-17(2,3)18(4,5)23-19/h6-10H,1-5H3

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Work with 2-Methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuro[2,3-B]pyridine

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-Methylbenzofuro[2,3-B]pyridin-8-yl trifluoromethanesulfonate1609373-98-947 % similar 2-Methyl-8-(pyridin-2-yl)benzofuro[2,3-B]pyridine1609373-99-047 % similar 2-(1-Naphthylene)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane68716-52-946 % similar 2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane870195-94-143 % similar 2-Chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine452972-11-143 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-041 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole885618-33-741 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-841 % similar

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

Elsewhere

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