5-bromo-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine

HCID 49759066

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 875639-15-9
표준 SMILES: Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1
InChIKey: RNPRNNYUHMYADJ-UHFFFAOYSA-N
분자식: C14H10BrIN2O2S
평균 분자량: 477.12 g/mol
단동위원소 질량: 475.86910866

이름 및 식별자

우선 이름: 5-bromo-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine
IUPAC: 5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
영어명: 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-iodo-1-[(4-methylphenyl)sulfonyl]-
분자식: C14H10BrIN2O2S
분자량: 477.11

이름 및 동의어

875639-15-95-bromo-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridineMFCD116164511H-PYRROLO[2,3-B]PYRIDINE, 5-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]-5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine5-bromo-3-iodo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine5-Bromo-3-iodo-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine1H-Pyrrolo[2,3-b]pyridine,5-bromo-3-iodo-1-[(4-methylphenyl)sulfonyl]-SCHEMBL721833DTXSID20678003RNPRNNYUHMYADJ-UHFFFAOYSA-NAKOS028114566

이름 더 보기

5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2，3-b]pyridine5-bromo-3-iodo-1-[(4-methylphenyl)sulfonyl]-1H-Pyrrolo[2,3-b]pyridine

AS-67788SY288848F20897F797145A1-344885-bromo-3-iodo-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridine5-Bromo-3-iodo-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

데이터베이스 식별자

CAS: 875639-15-9
PubChem CID: 49759066
DTXSID: DTXSID20678003

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 60.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 21
형식 전하: 0
복잡도: 476

물리화학적 성질

InChI: InChI=1S/C14H10BrIN2O2S/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18/h2-8H,1H3
InChIKey: RNPRNNYUHMYADJ-UHFFFAOYSA-N
SMILES: C12N(S(C3=CC=C(C)C=C3)(=O)=O)C=C(I)C1=CC(Br)=CN=2