5-페닐-3-피리디닐보론산

(5-Phenylpyridin-3-yl)boronic acid

HCID 45790037

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 850991-38-7
표준 SMILES: OB(O)c1cncc(-c2ccccc2)c1
InChIKey: FVWWKNZKPWWOCF-UHFFFAOYSA-N
분자식: C11H10BNO2
평균 분자량: 199.02 g/mol
단동위원소 질량: 199.08045896

이름 및 식별자

우선 이름: (5-Phenylpyridin-3-yl)boronic acid
IUPAC: (5-phenyl-3-pyridinyl)boronic acid
현지명: 5-페닐-3-피리디닐보론산
영어명: 5-Phenyl-3-pyridinyl boronic acid
분자식: C11H10BNO2
분자량: 199.01

이름 및 동의어

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

이름 더 보기

5-페닐-3-피리디닐보론산5-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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 53.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 195

물리화학적 성질

끓는 점: 439.3 · 439.3±47.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (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