4-Nitropyrrole-2-Carboxylic Acid Hydrate 4-硝基吡咯-2-羧酸

CAS 5930-93-8 MFCD00059928

化学结构图

5930-93-8
SMILES: O=C(O)c1cc([N+](=O)[O-])c[nH]1

化学属性

Mol. FormulaC5H4N2O4
Mol. Weight156.10
Melting Point217 °C
Boiling Point435.8±30.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-Nitropyrrole-2-Carboxylic Acid Hydrate
CAS Number5930-93-8
Alfabeta NameNITROPYRROLECARBOXYLICACID H412-----
MDL NumberMFCD00059928
Synonym 4-Nitro-1H-pyrrole-2-carboxylic acid {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-1H-pyrrole-2-carboxylic a
Reaxys-RN146246
PubChem Substance ID7016560
Chemical Name Translation4-硝基吡咯-2-羧酸
LabNetwork Molecule IDLN00152527
InChIInChI=1S/C5H4N2O4/c8-5(9)4-1-3(2-6-4)7(10)11/h1-2,6H,(H,8,9)
Canonical SMILESO=C(C1=CC([N+]([O-])=O)=CN1)O
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} Nitros
  • {KO} CarboxylicAcids
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Pyrroles

安全信息

Warnings IRRITANT
WGK Germany3
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
2
H-bond Acceptors
4
Rotatable Bonds
1
LogP
4.696000000000000e-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. Pyrroles 吡咯

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