6-(Morpholino)pyridine-3-boronic Acid (contains varying amounts of Anhydride)

C₉H₁₃BN₂O₃CAS 904326-93-8208.02 g/mol

Open in Covalent MOL file

Boronic acid Ether Tertiary amine

Properties

Molecular formula: C₉H₁₃BN₂O₃
Molar mass: 208.02 g/mol
Exact mass: 208.1019 Da
logP: -1.40Crippen estimate
Polar surface area: 65.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

904326-93-8

SMILES

OB(O)c1ccc(N2CCOCC2)nc1

InChIKey

FFPQELNXDVTLEW-UHFFFAOYSA-N

InChI

InChI=1S/C9H13BN2O3/c13-10(14)8-1-2-9(11-7-8)12-3-5-15-6-4-12/h1-2,7,13-14H,3-6H2

Weigh it out

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

Names and synonyms

8 names

(6-Morpholino-3-pyridinyl)boronic acid
Boronic acid, B-[6-(4-morpholinyl)-3-pyridinyl]-
Boronic acid, [6-(4-morpholinyl)-3-pyridinyl]-
B-[6-(4-Morpholinyl)-3-pyridinyl]boronic acid
[6-(Morpholin-4-yl)pyridin-3-yl]boronic acid
2-Morpholino-5-pyridineboronic acid
6-Morpholino-3-pyridineboronic acid
6-(Morpholin-4-yl)pyridine-3-boronic acid

Work with 6-(Morpholino)pyridine-3-boronic Acid (contains varying amounts of Anhydride)

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

4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl)morpholine485799-04-063 % similar 4-Morpholinophenylboronic acid186498-02-260 % similar 4-(5-Bromopyridin-2-yl)morpholine200064-11-554 % similar 6-Morpholinopyridin-3-amine52023-68-454 % similar 4-(Morpholinomethyl)phenylboronic acid279262-23-649 % similar (6-Ethoxypyridin-3-yl)boronic acid612845-44-048 % similar 2-Morpholino-5-nitropyridine26820-62-247 % similar 6-(Pyrrolidin-1-yl)pyridine-3-boronic acid, pinacol ester933986-97-147 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook