Ethyl 1-[6-(2-hydroxylphenyl)pyridine-2-yl]-5-trifluoromethyl-1H-pyrazole-4-carboxylate

HCID 136298134

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기본 정보

CAS
1128268-02-9
표준 SMILES
CCOC(=O)c1cnn(-c2cccc(-c3ccccc3O)n2)c1C(F)(F)F
InChIKey
JOEUJHOGCSBXGP-UHFFFAOYSA-N
분자식
C18H14F3N3O3
평균 분자량
377.3 g/mol
단동위원소 질량
377.0987258

이름 및 식별자

우선 이름
Ethyl 1-[6-(2-hydroxylphenyl)pyridine-2-yl]-5-trifluoromethyl-1H-pyrazole-4-carboxylate
IUPAC
ethyl 1-[6-(2-hydroxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

이름 및 동의어

1128268-02-9Ethyl 1-[6-(2-hydroxylphenyl)pyridine-2-yl]-5-trifluoromethyl-1H-pyrazole-4-carboxylateethyl 1-(6-(2-hydroxyphenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateEthyl 1-[6-(2-hydroxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateSCHEMBL1784209DTXSID7011138211H-Pyrazole-4-carboxylic acid, 1-[6-(2-hydroxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)-, ethyl esterDB-060248

데이터베이스 식별자

CAS
1128268-02-9
PubChem CID
136298134
DTXSID
DTXSID701113821

물성

구조 계산 물성보충 중

XLogP
3.6
극성 표면적
77.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
27

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