2-(N-메틸아미노카르보닐)-5-피리딘보론산핀콜에스테르

N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide

HCID 44119560

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 945863-21-8
표준 SMILES: CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: LUMBLRWRRONQMO-UHFFFAOYSA-N
분자식: C13H19BN2O3
평균 분자량: 262.11 g/mol
단동위원소 질량: 262.14887287

이름 및 식별자

우선 이름: N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide
IUPAC: N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
현지명: 2-(N-메틸아미노카르보닐)-5-피리딘보론산핀콜에스테르
영어명: 2-(N-Methylaminocarbonyl)-5-pyridineboronic acid pincol ester
분자식: C13H19BN2O3
분자량: 262.11

이름 및 동의어

945863-21-8N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamideN-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide2-(N-Methylaminocarbonyl)-5-pyridineboronic acid pincol esterMFCD084584835-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE-2-CARBOXYLIC ACID METHYLAMIDE2-(N-METHYLAMINOCARBONYL)PYRIDINE-5-BORONIC ACID PINACOL ESTER6-(Methylcarbamoyl)pyridine-3-boronic acid, pinacol ester6-(Methylcarbamoyl)pyridine-3-boronic Acid Pincol EsterSCHEMBL1557165SCHEMBL29533268DTXSID20657292

이름 더 보기

2-(N-메틸아미노카르보닐)-5-피리딘보론산핀콜에스테르7 2-(N-Methylaminecarbonyl)-5-pyridineboronic acid pincol2-(N-Methylaminocarbonyl)pyridine-5-boronic acidpincol ester2-N-Methylaminecarbonyl-5-pyridineboronic acid pinacol ester2-(N-Methylamidocarboxy)-5-pyridineboronic acid Pinacol ester6-(N-MethylaMidocarboxy)pyridine-3-boronic acid pinacol ester6-(Methylcarbamoyl)pyridine-3-boronic acid, pinacol ester 96%

LUMBLRWRRONQMO-UHFFFAOYSA-N2-(N-METHYLAMINOCARBONYL)PYRIDINE-5-BORONIC ACID PINCOL ESTERAKOS005259722AB45652PS-9706SY096589DB-079961CS-0091616

데이터베이스 식별자

CAS: 945863-21-8
PubChem CID: 44119560
DTXSID: DTXSID20657292

물성

구조 계산 물성

극성 표면적: 60.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 344

물리화학적 성질

녹는점: 113 · 113-115℃
끓는 점: 427.7 · 427.7±30.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 14.25 · 14.25±0.46(Predicted)
색상: 오프 화이트
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C13H19BN2O3/c1-12(2)13(3,4)19-14(18-12)9-6-7-10(16-8-9)11(17)15-5/h6-8H,1-5H3,(H,15,17)
InChIKey: LUMBLRWRRONQMO-UHFFFAOYSA-N
SMILES: C1(C(NC)=O)=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1