기본 정보
- CAS
947179-31-9- 표준 SMILES
Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)Nc2ccnc(Cl)c2)n1- InChIKey
OVDTWSDNBMHNGE-UHFFFAOYSA-N- 분자식
- C18H21BClN3O3
- 평균 분자량
- 373.6 g/mol
- 단동위원소 질량
- 373.13644961
이름 및 식별자
- 우선 이름
- N-(2-Chloropyridin-4-yl)-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
- IUPAC
- N-(2-chloro-4-pyridinyl)-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
- 영어명
- 2-PYRIDINECARBOXAMIDE, N-(2-CHLORO-4-PYRIDINYL)-6-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
- 분자식
- C18H21BClN3O3
- 분자량
- 373.64
이름 및 동의어
947179-31-9N-(2-chloropyridin-4-yl)-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamideDTXSID80678201RefChem:1091031DTXCID506289502-PYRIDINECARBOXAMIDE, N-(2-CHLORO-4-PYRIDINYL)-6-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-((2-Chloropyridin-4-yl)carbamoyl)-6-methylpyridine-4-boronic acid pinacol esterN-(2-chloropyridin-4-yl)-6-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)picolinaMide6-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine-2-carboxylic acid (2-chloro-pyridin-4-yl)-amideMFCD11617872C18H21BClN3O3SCHEMBL1794112
이름 더 보기
OVDTWSDNBMHNGE-UHFFFAOYSA-NDB-3071656-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) -pyridine-2-carboxylic acid (2-chloro-pyridin-4-yl)-amideN-(2-chloro-4-pyridyl)-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
데이터베이스 식별자
- CAS
947179-31-9- PubChem CID
- 49760409
- DTXSID
DTXSID80678201
물성
구조 계산 물성
- 극성 표면적
- 73.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 518
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