6-(1H-Pyrazol-1-yl)nicotinic acid 6-(1H-吡唑-1-基)烟酸

CAS 253315-22-9 MFCD00140749

化学结构图

253315-22-9
SMILES: OC(=O)C1C=NC(=CC=1)N1C=CC=N1

化学属性

Mol. FormulaC9H7N3O2
Mol. Weight189
Melting Point272-274
Density1.422
TSCANo

别名和识别编码

Chemical Name6-(1H-Pyrazol-1-yl)nicotinic acid
CAS Number253315-22-9
Alfabeta NamePYRAZOLYLNICOTINICACID H611()----
MDL NumberMFCD00140749
EC Number250-023-7
Beilstein Registry Number2384789
Synonym 6-(1H-Pyrazol-1-yl)pyridine-3-carboxylic acid
Chemical Name Translation6-(1H-吡唑-1-基)烟酸
PubChem Substance ID329788784
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分类

  • {SNA} Building Blocks, C9, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles, Pyridines
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • 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。
  • P305+P351+P338
Storage condition 储存温度2-8℃
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xi

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
1
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. Pyrazoles 吡唑
  5. C9 - Pyrazoles
  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. Heterocyclic Acids 杂环酸
  5. Pyrazole Acids

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