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
SMILES: O=C(O)c1ccc(=O)n(Cc2ccccc2)c1
化学属性
| Mol. Formula | C13H11NO3 |
|---|---|
| Mol. Weight | 229 |
| Melting Point | 205-207° |
别名和识别编码
| Chemical Name | 1-Benzyl-6-Oxo-1,6-Dihydropyridine-3-Carboxylic Acid |
|---|---|
| CAS Number | 4332-79-0 |
| Alfabeta Name | BENZYLOXODIHYDROPYRIDINECARBOXYLICACID 16163-------, |
| MDL Number | MFCD00101801 |
| Synonym | 1-benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid |
| Chemical Name Translation | 1-苄基-6-氧代-1,6-二氢吡啶-3-羧酸 |
| PubChem Substance ID | 2764224 |
| LabNetwork Molecule ID | LN00148649 |
| InChI | InChI=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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资金保障
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现货库存
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分类
- {KO} CarboxylicAcids
- {SNA} Building Blocks, C13 to C15, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
安全信息
GHS Symbol
- P305+P351+P338
- 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；
- H319 Causes serious eye irritation 严重刺激眼睛
- 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
