Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate

C₁₃H₁₈BNO₄CAS 957065-99-5263.10 g/mol

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Boronic ester Ester

Properties

Molecular formula: C₁₃H₁₈BNO₄
Molar mass: 263.10 g/mol
Exact mass: 263.1329 Da
logP: 1.17Crippen estimate
Polar surface area: 57.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

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

957065-99-5

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C(=O)OC

InChIKey

IXKFGVRURWXXKX-UHFFFAOYSA-N

InChI

InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5/h6-8H,1-5H3

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Names and synonyms

1 names

2-Methoxycarbonyl-5-pyridineboronic acid, pinacol ester

Work with Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate

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

1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethan-1-one741709-59-167 % similar Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-063 % similar Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate944392-68-160 % similar 3-Methoxycarbonylphenylboronic acid pinacol ester480425-35-258 % similar Methyl 5-hydroxypyridine-2-carboxylate30766-12-255 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-054 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-754 % similar 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine445264-61-953 % similar

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

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