1-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-3-((4-fluorobenzyl)oxy)-2-methyl-4(1H)-pyridinone
기본 정보
- CAS
338965-58-5- 표준 SMILES
Cc1c(OCc2ccc(F)cc2)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl- InChIKey
SZLONMLATQMYSD-UHFFFAOYSA-N- 분자식
- C19H13ClF4N2O2
- 평균 분자량
- 412.8 g/mol
- 단동위원소 질량
- 412.060168
이름 및 식별자
- 우선 이름
- 1-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-3-((4-fluorobenzyl)oxy)-2-methyl-4(1H)-pyridinone
- IUPAC
- 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorophenyl)methoxy]-2-methylpyridin-4-one
- 영어명
- 1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-3-[(4-FLUOROBENZYL)OXY]-2-METHYL-4(1H)-PYRIDINONE
- 분자식
- C19H13ClF4N2O2
- 분자량
- 412.77
이름 및 동의어
338965-58-51-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-3-((4-fluorobenzyl)oxy)-2-methyl-4(1H)-pyridinone1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(4-fluorophenyl)methoxy]-2-methylpyridin-4-one3'-chloro-3-[(4-fluorophenyl)methoxy]-2-methyl-5'-(trifluoromethyl)-4H-[1,2'-bipyridine]-4-oneMLS0005399451-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorobenzyl)oxy]-2-methyl-4(1H)-pyridinoneSMR000125403CHEMBL1459292BDBM68084cid_3822122DTXSID401118953HMS2754N10
이름 더 보기
[1(4H),2'-Bipyridin]-4-one, 3'-chloro-3-[(4-fluorophenyl)methoxy]-2-methyl-5'-(trifluoromethyl)-
AKOS0050957226K-0941-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3-(4-fluorobenzyl)oxy-2-methyl-4-pyridone1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3-[(4-fluorophenyl)methoxy]-2-methyl-pyridin-4-one1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[(4-fluorophenyl)methoxy]-2-methyl-4-pyridinone3'-Chloro-3-[(4-fluorophenyl)methoxy]-2-methyl-5'-(trifluoromethyl)-4H-[1,2'-bipyridin]-4-one3a(2)-Chloro-3-[(4-fluorophenyl)methoxy]-2-methyl-5a(2)-(trifluoromethyl)[1(4H),2a(2)-bipyridin]-4-one
데이터베이스 식별자
- CAS
338965-58-5- PubChem CID
- 3822122
- DTXSID
DTXSID401118953- ChEMBL
CHEMBL1459292
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 42.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 644
물리화학적 성질
- 끓는 점
- 496.3 · 496.3±45.0 °C(Predicted)
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.68 · 1.68±0.50(Predicted)
관련 반응
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