B-[6-(1-Methylethoxy)-3-pyridinyl]boronic acid

C₈H₁₂BNO₃CAS 870521-30-5181.00 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₈H₁₂BNO₃
Molar mass: 181.00 g/mol
Exact mass: 181.0910 Da
logP: -0.45Crippen estimate
Polar surface area: 62.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

870521-30-5

SMILES

CC(C)Oc1ccc(B(O)O)cn1

InChIKey

SGEOBUJTURUUJE-UHFFFAOYSA-N

InChI

InChI=1S/C8H12BNO3/c1-6(2)13-8-4-3-7(5-10-8)9(11)12/h3-6,11-12H,1-2H3

Weigh it out

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

Names and synonyms

7 names

Boronic acid, B-[6-(1-methylethoxy)-3-pyridinyl]-
Boronic acid, [6-(1-methylethoxy)-3-pyridinyl]-
(6-Isopropoxypyridin-3-yl)boronic acid
(6-Isopropoxy-3-pyridyl)boronic acid
2-Isopropoxypyridine-5-boronic acid
(6-Propan-2-yloxypyridin-3-yl)boronic acid
[6-(Propan-2-yloxy)pyridin-3-yl]boronic acid

Work with B-[6-(1-Methylethoxy)-3-pyridinyl]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

2-Isopropoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine871839-91-763 % similar (6-Methoxypyridin-3-yl)boronic acid163105-89-362 % similar (6-Ethoxypyridin-3-yl)boronic acid612845-44-057 % similar 4-Isopropoxybenzeneboronic acid153624-46-556 % similar 5-Bromo-2-(1-methylethoxy)pyridine870521-31-653 % similar 6-Benzyloxypyridine-3-boronic acid929250-35-149 % similar 2-Methylpyridine-5-boronic acid659742-21-949 % similar 3-Isopropoxybenzeneboronic acid216485-86-846 % similar

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

Elsewhere

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