(5-Phenylpyridin-3-yl)boronic acid

HCID 45790037

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基本情報

CAS: 850991-38-7
標準SMILES: OB(O)c1cncc(-c2ccccc2)c1
InChIKey: FVWWKNZKPWWOCF-UHFFFAOYSA-N
分子式: C11H10BNO2
平均分子量: 199.02 g/mol
単同位体質量: 199.08045896

名称と識別子

優先名称: (5-Phenylpyridin-3-yl)boronic acid
IUPAC: (5-phenyl-3-pyridinyl)boronic acid
英語名: 5-Phenyl-3-pyridinyl boronic acid
分子式: C11H10BNO2
分子量: 199.01

名称と別名

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

名称をさらに表示

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

データベース識別子

CAS: 850991-38-7
PubChem CID: 45790037
DTXSID: DTXSID00672180

物性

構造計算による物性

極性表面積: 53.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 195

物理化学的性質

沸点: 439.3 · 439.3±47.0 °C(Predicted)
比重(密度): 1.24 · 1.24±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 3.78 · 3.78±0.10(Predicted)
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