2-Picoline-5-boronic acid pinacolate

C₁₂H₁₈BNO₂CAS 610768-32-6219.09 g/mol

Open in Covalent MOL file

Boronic ester

Properties

Molecular formula: C₁₂H₁₈BNO₂
Molar mass: 219.09 g/mol
Exact mass: 219.1431 Da
logP: 1.69Crippen estimate
Polar surface area: 31.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

610768-32-6

SMILES

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

InChIKey

JEECGGXGHJUYMN-UHFFFAOYSA-N

InChI

InChI=1S/C12H18BNO2/c1-9-6-7-10(8-14-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3

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

Names and synonyms

1 names

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

Work with 2-Picoline-5-boronic acid pinacolate

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-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-067 % similar 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-62-063 % similar 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine444120-94-963 % similar 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine445264-61-961 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-159 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-63-758 % similar 2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine879291-27-758 % similar 2-Isopropoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine871839-91-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylpyridine-3-boronic acid pinacol ester1012084-56-8 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-8 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-8 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline210907-84-9 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-3 2-Methylpyridine-4-boronic acid pinacol ester660867-80-1

Elsewhere

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