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

156270-06-3
SMILES: OC(=O)C1=CNC2N=CC=CC1=2

化学属性

Mol. FormulaC8H6N2O2
Mol. Weight162.15
Melting Point205-209
TSCANo

别名和识别编码

Chemical Name1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid
CAS Number156270-06-3
Alfabeta NamePYRROLOPYRIDINECARBOXYLICACID HB1233[]----,
MDL NumberMFCD07778360
Synonym 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid 1H-吡咯并[2,3-b]吡啶-3-羧酸
Chemical Name Translation7-氮杂吲哚-3-羧酸
PubChem Substance ID329761506
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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

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • 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
Hazard statements
  • 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
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
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；
Risk Statements
  • 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

系列性分类

  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. Indoles 吲哚
  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. Indolines 吲哚啉
  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. Indoles 吲哚
  5. C7 to C9 - Indoles

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