CAS 850991-38-7 (5-Phenylpyridin-3-yl)boronic acid (HCID 45790037)

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Basic information

CAS: 850991-38-7
Standard SMILES: OB(O)c1cncc(-c2ccccc2)c1
InChIKey: FVWWKNZKPWWOCF-UHFFFAOYSA-N
Molecular formula: C11H10BNO2
Average molar mass: 199.02 g/mol
Monoisotopic mass: 199.08045896

Names & identifiers

Preferred name: (5-Phenylpyridin-3-yl)boronic acid
IUPAC: (5-phenyl-3-pyridinyl)boronic acid
English name: 5-Phenyl-3-pyridinyl boronic acid
Molecular formula: C11H10BNO2
Molecular weight: 199.01

Names & synonyms

850991-38-7(5-Phenylpyridin-3-yl)boronic acid5-Phenyl-3-pyridinylboronic acid5-Phenylpyridine-3-boronic acid5-PHENYL-3-PYRIDINYL BORONIC ACID5-phenylpyridin-3-ylboronic acidMFCD08061934DTXSID006721805-PHENYL-3-PYRIDINYLBORONICACIDDS-12990(5-phenyl-3-pyridyl)boronic acid5-phenyl-3-pyridinyl?boronic?acid

Show more names

5-Phenyl-3-pyridine boronic acidBoronic acid, (5-phenyl-3-pyridinyl)-Boronic acid, B-(5-phenyl-3-pyridinyl)-5-Phenyl-3-pyridine boronic acid hydrochloride5-Phenylpyridin-3-ylboronic acid hydrochloride(5-Phenylpyridin-3-yl)boronic acid, pinacol ester5-Phenyl-3-pyridinyl boronic Acid(5-Phenyl-3-pyridinyl boronic acid, pinacol ester )

FT-0644956orb1908328SCHEMBL13044815-phenyl-3-pyridyl boronic acidTNU0667AKOS006287625SY108347DB-007103

Database identifiers

CAS

Properties

Computed structural properties

Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 195

Physicochemical properties

Boiling point: 439.3 · 439.3±47.0 °C(Predicted)
Density: 1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 3.78 · 3.78±0.10(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C11H10BNO2/c14-12(15)11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8,14-15H
InChIKey: FVWWKNZKPWWOCF-UHFFFAOYSA-N
SMILES: B(C1=CC(C2=CC=CC=C2)=CN=C1)(O)O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338