2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-Fluorobenzonitrile

HCID 23089358

基本情報

標準SMILES
Cn1c(=O)cc(Cl)n(Cc2cc(F)ccc2C#N)c1=O
InChIKey
DNCGCZRILRRTMK-UHFFFAOYSA-N
分子式
C13H9ClFN3O2
平均分子量
293.68 g/mol

名称と識別子

優先名称
2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-Fluorobenzonitrile
IUPAC
2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile

名称と別名

865759-24-62-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-FluorobenzonitrileMFCD236953572-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-4-fluorobenzonitrile2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile2-[(6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4-fluorobenzonitrileBenzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-4-fluoro-2-[[6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]methyl]-4-fluorobenzonitrile4-dioxo-3SCHEMBL3059722-((6-chloro-3-methyl-2DNCGCZRILRRTMK-UHFFFAOYSA-N
名称をさらに表示
CS-M2175AKOS025287182SB59591AC-29070CS-13614SY457452DB-329042F789557

データベース識別子

PubChem CID
23089358
Nikkaji
J3.095.519F

物性

構造計算による物性

XLogP
1.5
極性表面積
64.4 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
2
重原子数
20

関連反応

14 件

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