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Bicyclopyrone

HCID 11188745
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기본 정보

CAS
352010-68-5
표준 SMILES
COCCOCc1nc(C(F)(F)F)ccc1C(O)=C1C(=O)[C@@H]2CC[C@@H](C2)C1=O
InChIKey
AIAYSXFWIUNXRC-PHIMTYICSA-N
분자식
C19H20F3NO5
평균 분자량
399.4 g/mol
단동위원소 질량
399.12935722

개요

Bicyclopyrone is a member of the class of pyridines that is pyridine which is substituted at positions 2, 3, and 6 by (2-methoxyethoxy)methyl, (2-hydroxy-4-oxobicyclo[3.2.1]oct-2-en-3-yl)carbonyl, and trifluoromethyl groups, respectively. It is a broad-spectrum herbicide developed by Syngenta and used for the pre- and post-emergence control of weeds in corn. It has a role as a carotenoid biosynthesis inhibitor, a herbicide and an agrochemical. It is an ether, a member of pyridines, an enol, a carbobicyclic compound, an organofluorine compound, an enone, a beta-diketone and an aromatic ketone.

이름 및 식별자

우선 이름
Bicyclopyrone
IUPAC
(1S,5R)-3-[hydroxy-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methylidene]bicyclo[3.2.1]octane-2,4-dione

이름 및 동의어

BicyclopyroneUNII-ML25YR3ZCHML25YR3ZCH352010-68-5(1R,5S)-3-[hydroxy-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridin-3-yl]methylidene]bicyclo[3.2.1]octane-2,4-dione3-[hydroxy-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)pyridin-3-yl]methylidene]bicyclo[3.2.1]octane-2,4-dioneBicyclo(3.2.1)oct-3-en-2-one, 4-hydroxy-3-((2-((2-methoxyethoxy)methyl)-6-(trifluoromethyl)-3-pyridinyl)carbonyl)-4-Hydroxy-3-[[2-[(2-methoxyethoxy)methyl]-6-(trifluoromethyl)-3-pyridinyl]carbonyl]bicyclo[3.2.1]oct-3-en-2-oneBicyclo[3.2.1]oct-3-en-2-one, 4-hydroxy-3-[[2-[(2-methoxyethoxy)methyl]-6-(trifluoromethyl)-3-pyridinyl]carbonyl]-SCHEMBL25395218SCHEMBL25395226SCHEMBL25395238
이름 더 보기
SCHEMBL31482986CHEBI:1362714-hydroxy-3-(2-(2-methoxy-ethoxymethyl)-6-trifluoromethyl-pyridine-3-carbonyl)-bicyclo(3,2,1) oct-3-en-2-oneMSK000447Q27284091(1RS,5SR)-4-hydroxy-3-({2-[(2-methoxyethoxy)methyl]-6-(trifluoromethyl)-3-pyridyl}carbonyl)bicyclo[3.2.1]oct-3-en-2-one4-hydroxy-3-({2-[(2-methoxyethoxy)methyl]-6-(trifluoromethyl)pyridin-3-yl}carbonyl)bicyclo[3.2.1]oct-3-en-2-one4-hydroxy-3-{2-[(2-methoxyethoxy)methyl]-6-(trifluoromethyl)-3-pyridylcarbonyl}bicyclo[3.2.1]oct-3-en-2-one

물성

구조 계산 물성

XLogP
2
극성 표면적
85.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
28
형식 전하
0
복잡도
624

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데이터베이스 식별자

CAS
352010-68-5
PubChem CID
11188745
ChEBI
CHEBI:136271
UNII
ML25YR3ZCH