1-Benzyl-6-Oxo-1,6-Dihydropyridine-3-Carboxylic Acid 1-苄基-6-氧代-1,6-二氢吡啶-3-羧酸

CAS 4332-79-0 MFCD00101801

化学结构图

4332-79-0
SMILES: O=C(O)c1ccc(=O)n(Cc2ccccc2)c1

化学属性

Mol. FormulaC13H11NO3
Mol. Weight229
Melting Point205-207°

别名和识别编码

Chemical Name1-Benzyl-6-Oxo-1,6-Dihydropyridine-3-Carboxylic Acid
CAS Number4332-79-0
Alfabeta NameBENZYLOXODIHYDROPYRIDINECARBOXYLICACID 16163-------,
MDL NumberMFCD00101801
Synonym 1-benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
Chemical Name Translation1-苄基-6-氧代-1,6-二氢吡啶-3-羧酸
PubChem Substance ID2764224
LabNetwork Molecule IDLN00148649
InChIInChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
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分类

  • {KO} CarboxylicAcids
  • {SNA} Building Blocks, C13 to C15, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P305+P351+P338
Signal word Warning
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xi
Risk Statements
  • R36 Irritating to eyes 刺激眼睛

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. C13 to C40 - Pyridines
  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

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