6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile 2-hydroxy-6-isopropylnicotinonitrile

CAS 5782-69-4 MFCD14581657

化学结构图

5782-69-4
SMILES: CC(C)c1ccc(C#N)c(=O)[nH]1

化学属性

Mol. Weight162.19
Mol. FormulaC9H10N2O
Melting Point209 - 210 (°C)

别名和识别编码

Chemical Name6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number5782-69-4
Alfabeta NameISOPROPYLOXODIHYDROPYRIDINECARBONITRILE 62123-------,
MDL NumberMFCD14581657
Chemical Name Translation2-hydroxy-6-isopropylnicotinonitrile
LabNetwork Molecule IDLN00157288
PubChem Substance ID10583113
InChIInChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6H,1-2H3,(H,11,12)
Synonym 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {} {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile {} {} {} {} {} {} {} {} {} {} {}
Canonical SMILESCC(C)C1=CC=C(C(=O)N1)C#N
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分类

  • {KO} Nitriles
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition

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
7.450000000000000e-002

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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