chempirical

(6-Morpholino-3-pyridinyl)boronic acid

C9H13BN2O3CAS 904326-93-8208.02 g/mol

Open in Covalent MOL file
HOBHONON
Boronic acidEtherTertiary 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 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

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

7 names
  • 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-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

6-Morpholinopyridin-3-amine52023-68-454 % similar 2-Morpholino-5-nitropyridine26820-62-247 % similar (4-(Morpholine-4-carbonyl)phenyl)boronic acid389621-84-545 % similar B-[6-(1-Methylethoxy)-3-pyridinyl]boronic acid870521-30-540 % similar B-[4-(1-Piperidinylcarbonyl)phenyl]boronic acid389621-83-436 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-436 % similar 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine568577-88-836 % similar 4-Phenylmorpholine92-53-535 % similar

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

Elsewhere

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