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-3-
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


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