1H-Pyrrolo[2,3-b]Pyridine-3-Carboxylic Acid, Methyl Ester 1H-吡咯并[2,3-B]吡啶-3-羧酸甲酯

CAS 808137-94-2 MFCD09864656

化学结构图

808137-94-2
SMILES: COC(=O)C1=CNC2N=CC=CC1=2

化学属性

Mol. FormulaC9H8N2O2
Mol. Weight176.17
Melting Point205-206°
TSCANo
Density
Boiling Point

别名和识别编码

Chemical Name1H-Pyrrolo[2,3-b]Pyridine-3-Carboxylic Acid, Methyl Ester
CAS Number808137-94-2
Alfabeta NameMETHYLPYRROLOPYRIDINECARBOXYLATE HB1233[]----,
MDL NumberMFCD09864656
Synonym 7-Azaindole-3-carboxylic acid methyl ester Methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
EC Number
Beilstein Registry Number
Chemical Name Translation1H-吡咯并[2,3-B]吡啶-3-羧酸甲酯
PubChem Substance ID329793644
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Azaindoles, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • {KO} Esters

安全信息

Warnings IRRITANT
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；
  • S37 Wear suitable gloves 戴适当手套；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
WGK Germany3
GHS Symbol
UN Number
Hazard Codes
Signal word
Precautionary statements
RTECS
Packing Group

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
3
Rotatable Bonds
2
LogP
1

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. Azaindoles

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