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기본 정보
- CAS
1361232-73-6- 표준 SMILES
NC(=O)c1nn(Cc2ccccc2F)c2ncc(F)cc12- InChIKey
PFVRWSTVUQUXKP-UHFFFAOYSA-N- 분자식
- C14H10F2N4O
- 평균 분자량
- 288.25 g/mol
- 단동위원소 질량
- 288.08226728
이름 및 식별자
- 우선 이름
- 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxamide
- IUPAC
- 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
- 영어명
- 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
- 분자식
- C14H10F2N4O
- 분자량
- 288.25
이름 및 동의어
5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide5-Fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxamide5-Fluoro-1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxamideRefChem:535658811-886-01361232-73-6Vericiguat Impurity 151H-Pyrazolo[3,4-b]pyridine-3-carboxamide, 5-fluoro-1-[(2-fluorophenyl)methyl]-5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboxamideSCHEMBL174635PFVRWSTVUQUXKP-UHFFFAOYSA-N
이름 더 보기
Vericiguat Impurity 135-fluoro-1-(3-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carbonitrileVericiguat Impurity 07Vericiguat Impurity 03Vericiguat Impurity 27/5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
DTXSID20114120962883U75FC
물성
구조 계산 물성보충 중
- XLogP
- 1.8
- 극성 표면적
- 73.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 397
물리화학적 성질
- 끓는 점
- 377.7 ℃ · 377.7℃ at 101.3kPa
- 밀도
- 1.488 at · 1.488 at 20℃
- 증기압
- 0 Pa · 0Pa at 20℃
- 산도 계수 (pKa)
- 14.39 · 14.39±0.30(Predicted)
- LogP
- 1.57 at · 1.57 at 20℃ and pH6.5
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 6 of 6 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 6 of 6 reports by companies.；There are 0 notifications provided by 0 of 6 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory InformationStatus: Active Update: 18-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33660
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory InformationStatus: Active Update: 18-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33660
화학 및 산업
공급사25 곳
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