6-tert-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile 6-叔丁基-2-氧代-1,2-二氢吡啶-3-腈

CAS 4138-19-6 MFCD10478931

化学结构图

4138-19-6
SMILES: CC(C)(C)c1ccc(C#N)c(=O)[nH]1

化学属性

Mol. Weight176.22
Melting Point194-196°
Mol. FormulaC10H12N2O

别名和识别编码

Chemical Name6-tert-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number4138-19-6
Alfabeta NameBUTYLOXODIHYDROPYRIDINECARBONITRILE TERT62123--------,
MDL NumberMFCD10478931
Chemical Name Translation6-叔丁基-2-氧代-1,2-二氢吡啶-3-腈
LabNetwork Molecule IDLN00168366
PubChem Substance ID12944925
InChIInChI=1S/C10H12N2O/c1-10(2,3)8-5-4-7(6-11)9(13)12-8/h4-5H,1-3H3,(H,12,13)
Synonym 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {} {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {}
Canonical SMILESCC(C)(C)C1=NC(=C(C=C1)C#N)O
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分类

  • {KO} Nitriles
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
2
Rotatable Bonds
1
LogP
5.800010000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyridines 吡啶

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