2-(1-(2,2-Difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-7(6H)-yl)acetic acid
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기본 정보
- CAS
1018052-55-5- 표준 SMILES
Cc1nn(CC(F)F)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)O- InChIKey
LRDAJBPEZGLXNW-UHFFFAOYSA-N- 분자식
- C12H10F5N3O3
- 평균 분자량
- 339.22 g/mol
- 단동위원소 질량
- 339.064232
이름 및 식별자
- 우선 이름
- 2-(1-(2,2-Difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-7(6H)-yl)acetic acid
- IUPAC
- 2-[1-(2,2-difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid
- 영어명
- [1-(2,2-Difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acid
- 분자식
- C12H10F5N3O3
- 분자량
- 339.22
이름 및 동의어
1018052-55-52-(1-(2,2-Difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-7(6H)-yl)acetic acid[1-(2,2-difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acidMFCD097015562-[1-(2,2-difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acid2-[1-(2,2-difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]acetic acid[1-(2,2-DIFLUOROETHYL)-3-METHYL-6-OXO-4-(TRIFLUOROMETHYL)PYRAZOLO[3,4-B]PYRIDIN-7-YL]ACETIC ACID2-(1-(2,2-Difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-7h-pyrazolo[3,4-b]pyridin-7-yl)acetic acidC12H10F5N3O3DTXSID401109043SBB024981STK351923
이름 더 보기
-(2,2-Difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]acetic acid7H-Pyrazolo[3,4-b]pyridine-7-acetic acid, 1-(2,2-difluoroethyl)-1,6-dihydro-3-methyl-6-oxo-4-(trifluoromethyl)-
AKOS005167595ST102451CS-0282691EN300-2314651-(2,2-Difluoroethyl)-1,6-dihydro-3-methyl-6-oxo-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridine-7-acetic acid2-(1-(2,2-Difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-7(6H)-yl)aceticacid2-[1-(2,2-difluoroethyl)-3-methyl-6-oxo-4-(trifluoromethyl)-7-hydropyrazolo[5, 4-b]pyridin-7-yl]acetic acid
데이터베이스 식별자
- CAS
1018052-55-5- PubChem CID
- 25247673
- DTXSID
DTXSID401109043
물성
구조 계산 물성보충 중
- XLogP
- 1.4
- 극성 표면적
- 75.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 537
물리화학적 성질
- 끓는 점
- 413.2 · 413.2±45.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.6 · 3.60±0.10(Predicted)
관련 반응
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