1-(2-Chlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid 1-(2-氯苄基)-6-羰基-1,6-二氢-3-吡啶羧酸

CAS 4399-77-3 MFCD01935944

化学结构图

4399-77-3
SMILES: O=C(O)c1ccc(=O)n(Cc2ccccc2Cl)c1

化学属性

Mol. FormulaC13H10ClNO3
Mol. Weight263.68
Melting Point246-248 °C
Boiling Point469.8±45.0 °C at 760 mmHg

别名和识别编码

Chemical Name1-(2-Chlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
CAS Number4399-77-3
Alfabeta NameCHLOROBENZYLOXODIHYDROPYRIDINECARBOXYLICACID 126163()--------,
MDL NumberMFCD01935944
Chemical Name Translation1-(2-氯苄基)-6-羰基-1,6-二氢-3-吡啶羧酸
LabNetwork Molecule IDLN00148284
PubChem Substance ID2764223
InChIInChI=1S/C13H10ClNO3/c14-11-4-2-1-3-9(11)7-15-8-10(13(17)18)5-6-12(15)16/h1-6,8H,7H2,(H,17,18)
Synonym 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {} {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {} {} {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {} {} {} {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {} {} {} {} {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {} {} {} {} {} {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {} {} {} {} {} {} {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {} {} {} {} {} {} {} {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Chlorobenzyl)-6-oxo-1,6-dihydropyridine
Canonical SMILESC1=CC=C(C(=C1)CN2C=C(C=CC2=O)C(=O)O)Cl
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分类

  • {KO} CarboxylicAcids

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 Acceptors
3
Rotatable Bonds
3
H-bond Donors
1
LogP
1

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. Heterocyclic Acids 杂环酸
  5. Pyridine Acids
  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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