4,6-Dihydroxynicotinic acid 4,6-二羟基烟酸

CAS 5466-62-6 MFCD00234168

化学结构图

5466-62-6
SMILES: O=C(O)c1c[nH]c(=O)cc1O

化学属性

Mol. FormulaC6H5NO4
Mol. Weight155.11
Melting Point309-311°C
Boiling Point712.6°C at 760 mmHg

别名和识别编码

Chemical Name4,6-Dihydroxynicotinic acid
CAS Number5466-62-6
Alfabeta NameDIHYDROXYNICOTINICACID 46-,
MDL NumberMFCD00234168
Chemical Name Translation4,6-二羟基烟酸
Synonym 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {} {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {} {} {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-6-oxo-1H-pyridine-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {}
Wiswesser Line NotationT6NJ BQ DQ EVQ
Beilstein Registry Number0137085
InChIKeyQJLHSJRQOWSNMD-UHFFFAOYSA-N
LabNetwork Molecule IDLN00152437
PubChem Substance ID54676839
InChIInChI=1S/C6H5NO4/c8-4-1-5(9)7-2-3(4)6(10)11/h1-2H,(H,10,11)(H2,7,8,9)
Canonical SMILESC1=C(C(=CN=C1O)C(=O)O)O
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分类

  • {KO} CarboxylicAcids
  • {KO} HeteroArylOH

安全信息

Warnings IRRITANT
RTECSQT1525000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#03055

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
3
H-bond Acceptors
5
Rotatable Bonds
1
LogP
5.629000000000000e-001

系列性分类


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