4-(Trifluoromethyl)Picolinic Acid 4-三氟甲基-2-吡啶甲酸
CAS 588702-62-9 MFCD07438043
化学结构图
SMILES: OC(=O)C1C=C(C=CN=1)C(F)(F)F
化学属性
| Mol. Formula | C7H4F3NO2 |
|---|---|
| Mol. Weight | 191.11 |
| Melting Point | 157-162 °C |
别名和识别编码
| Chemical Name | 4-(Trifluoromethyl)Picolinic Acid |
|---|---|
| CAS Number | 588702-62-9 |
| Alfabeta Name | TRIFLUOROMETHYLPYRIDINECARBOXYLICACID 42()--- |
| MDL Number | MFCD07438043 |
| Synonym | 4-(三氟甲基)吡啶-2-甲酸 |
| Chemical Name Translation | 4-三氟甲基-2-吡啶甲酸 |
| PubChem Substance ID | 329762780 |
| LabNetwork Molecule ID | LN00126485 |
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分类
- {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
- {KO} CarboxylicAcids
安全信息
GHS Symbol
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- H302+H312+H332
- 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；
- S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时，佩带适当的呼吸器；
- S7/9 Keep container tightly closed and in a well-ventilated place 保持容器严格密闭，置于通风良好的场所；
- S22 Do not breathe dust 不要吸入粉尘；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- S51 Use only in well-ventilated areas 仅在通风良好的场所使用；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
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
1
H-bond Donors
1
LogP
2
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