ethyl 4,6-dihydroxy-5-nitronicotinate 乙基4,6-二羟基-5-硝基烟酸酯,97%

CAS 6317-97-1 MFCD01765414

化学结构图

6317-97-1
SMILES: CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O

化学属性

Mol. FormulaC8H8N2O6
Mol. Weight228.16
Melting Point243-246 °C
Boiling Point325.7±42.0 °C at 760 mmHg

别名和识别编码

Chemical Nameethyl 4,6-dihydroxy-5-nitronicotinate
CAS Number6317-97-1
Alfabeta NameETHYLDIHYDROXYNITRONICOTINATE 465---,
MDL NumberMFCD01765414
Chemical Name Translation乙基4,6-二羟基-5-硝基烟酸酯,97%
LabNetwork Molecule IDLN00151383
PubChem Substance ID54694073
InChIInChI=1S/C8H8N2O6/c1-2-16-8(13)4-3-9-7(12)5(6(4)11)10(14)15/h3H,2H2,1H3,(H2,9,11,12)
Synonym Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {} {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {} {} {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {} {} {} {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {} {} {} {} {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {} {} {} {} {} {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {} {} {} {} {} {} {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {} {} {} {} {} {} {} {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {} {} {} {} {} {} {} {} {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-hydroxy-5-nitro-6-oxo-1,6-dihydropyridine-3-carbox
Canonical SMILESOC1=C([N+]([O-])=O)C(NC=C1C(OCC)=O)=O
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分类

  • {KO} Nitros
  • {KO} HeteroArylOH
  • {KO} Esters

安全信息

Warnings IRRITANT
Storage condition

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
7
Rotatable Bonds
3
LogP
8.907000000000002e-001

系列性分类

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