1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid 7-氮杂吲哚-3-羧酸
CAS 156270-06-3 MFCD07778360
化学结构图
SMILES: OC(=O)C1=CNC2N=CC=CC1=2
化学属性
| Mol. Formula | C8H6N2O2 |
|---|---|
| Mol. Weight | 162.15 |
| Melting Point | 205-209 |
| TSCA | No |
别名和识别编码
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid |
|---|---|
| CAS Number | 156270-06-3 |
| Alfabeta Name | PYRROLOPYRIDINECARBOXYLICACID HB1233[]----, |
| MDL Number | MFCD07778360 |
| Synonym | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid 1H-吡咯并[2,3-b]吡啶-3-羧酸 |
| Chemical Name Translation | 7-氮杂吲哚-3-羧酸 |
| PubChem Substance ID | 329761506 |
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资金保障
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分类
- {KO} AminesSecondaryHeteroNH
- {KO} CarboxylicAcids
- {SNA} Azaindoles, Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
安全信息
GHS Symbol
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- H315 Causes skin irritation 会刺激皮肤
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H302 Harmful if swallowed 吞食有害
- H319 Causes serious eye irritation 严重刺激眼睛
- 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；
- R22 Harmful if swallowed 吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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
2
H-bond Acceptors
3
Rotatable Bonds
1
LogP
9.643999999999999e-001
