2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile 1,2-二氢-2-羰基-6-苯基-4-(三氟甲基)3-吡啶甲腈
CAS 3335-44-2 MFCD00474273
化学结构图
SMILES: N#Cc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O
化学属性
| Mol. Formula | C13H7F3N2O |
|---|---|
| Mol. Weight | 264.20 |
| Melting Point | >;300 °C(lit.) |
别名和识别编码
| Chemical Name | 2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile |
|---|---|
| CAS Number | 3335-44-2 |
| Alfabeta Name | OXOPHENYLTRIFLUOROMETHYLDIHYDROPYRIDINECARBONITRILE 264123()---------, |
| MDL Number | MFCD00474273 |
| Synonym | 2-OXO-6-PHENYL-4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE 6-苯基-3-氰基-4-三氟甲基-吡啶基-2-酮 1,2-二氢-2-羰基-6-苯基-4-(三氟甲基)3-吡啶甲腈 |
| PubChem Substance ID | 2726227 |
| Chemical Name Translation | 1,2-二氢-2-羰基-6-苯基-4-(三氟甲基)3-吡啶甲腈 |
| LabNetwork Molecule ID | LN00145764 |
| InChI | InChI=1S/C13H7F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,(H,18,19) |
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分类
- {KO} Nitriles
- Building Blocks, C13 to C40, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
- {SNA} Building Blocks, C13 to C15, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
安全信息
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
1
其他信息
- Sigma Aldrich:3335-44-2(sigmaaldrich)
- 上游原料:甲醇 --> 丙二腈 --> 苯甲酰三氟丙酮
- Hazard Note:Irritant
- Acros Organics:2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, 97%(3335-44-2)
- MOL 文件:3335-44-2.mol
- 2-OXO-6-PHENYL-4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 RH02143DA 2-hydroxy-6-phenyl-4-(trifluoromethyl)nicotinonitrile 1 GR 630元
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