Methyl 2-(difluoromethyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylate

HCID 9974711

기본 정보

표준 SMILES
COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(S)c1CC(C)C
InChIKey
GTHIOFVWNIGYAA-UHFFFAOYSA-N
분자식
C13H14F5NO2S
평균 분자량
343.31 g/mol

이름 및 식별자

우선 이름
Methyl 2-(difluoromethyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylate
IUPAC
methyl 2-(difluoromethyl)-4-(2-methylpropyl)-5-sulfanyl-6-(trifluoromethyl)pyridine-3-carboxylate

이름 및 동의어

methyl 2-(difluoromethyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylateSCHEMBL6730437methyl 2-(difluoro-methyl)-4-isobutyl-5-mercapto-6-(trifluoromethyl)-3-pyridinecarboxylateMethyl 2-(Difluoromethyl)-5-mercapto-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate

데이터베이스 식별자

PubChem CID
9974711

물성

구조 계산 물성

XLogP
4
극성 표면적
40.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
5
무거운 원자 수
22

관련 반응

10건

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