Methyl 4-hydroxy-6-oxo-2-(trifluoromethyl)-1,6-dihydropyridine-3-carboxylate

HCID 54717819
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기본 정보

CAS
103900-78-3
표준 SMILES
COC(=O)c1c(O)cc(=O)[nH]c1C(F)(F)F
InChIKey
QQQMCEDMOALJGL-UHFFFAOYSA-N
분자식
C8H6F3NO4
평균 분자량
237.13 g/mol
단동위원소 질량
237.02489216

이름 및 식별자

우선 이름
Methyl 4-hydroxy-6-oxo-2-(trifluoromethyl)-1,6-dihydropyridine-3-carboxylate
IUPAC
methyl 4-hydroxy-6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxylate

이름 및 동의어

103900-78-3METHYL 4-HYDROXY-6-OXO-2-(TRIFLUOROMETHYL)-1,6-DIHYDROPYRIDINE-3-CARBOXYLATEMFCD11977825Methyl 1,6-dihydro-4-hydroxy-6-oxo-2-(trifluoromethyl)-3-pyridinecarboxylate4,6-Dihydroxy-2-trifluoromethylpyridine-3-carboxylic acid methyl esterSCHEMBL1328619SCHEMBL10352684DTXSID901140721methyl 4,6-dihydroxy-2-(trifluoromethyl)pyridine-3-carboxylateDB-084174H39430Methyl 4,6-dihydroxy-2(trifluoromethyl)-3-pyridinecarboxylate
이름 더 보기
3-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-2-(trifluoromethyl)-, methyl ester4-hydroxy-6-oxo-2-trifluoromethyl-1,6-dihydro-pyridine-3-carboxylic acid methyl ester

데이터베이스 식별자

CAS
103900-78-3
PubChem CID
54717819
DTXSID
DTXSID901140721
Nikkaji
J314.402J

물성

구조 계산 물성

XLogP
0.6
극성 표면적
75.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
2
무거운 원자 수
16

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