2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile
Product Information
Molecular Formula
C7H6N2O2
Molecular Weight
150.13
Description
2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile (CAS# 5444-02-0) is a synthetic human uridine phosphorylase-1 inhibitor, reduces HepG2 cell proliferation through cell cycle arrest and senescenceis and is used in the synthesis of disperse dyes. Also used in the synthesis of mGluR5 non-competitive antagonists.
Synonyms
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile; 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
IUPAC Name
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILES
CC1=CC(=O)NC(=C1C#N)O
InChI
InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
InChI Key
YRGYYQCOWUULNF-UHFFFAOYSA-N
Boiling Point
323 °C at 760 mmHg
Melting Point
315 °C (dec.) (lit.)
Purity
99 %
Density
1.38 g/cm3
Appearance
Off-white powder
LogP
0.67288
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
0
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
150.042927438 g/mol
Monoisotopic Mass
150.042927438 g/mol
Topological Polar Surface Area
73.1Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
317
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113929622-A | Synthetic method of 2,5, 6-trichloro-cyanic acid | 2021-11-22 |
| CN-112834643-A | Method for measuring 2, 6-dihydroxy-4-methylpyridine and 2, 6-dihydroxy-3-cyano-4-methylpyridine | 2020-12-31 |
| CN-111500084-A | Nitrobenzoisothiazole-pyridone dye and preparation method thereof | 2020-04-27 |
| CN-112694608-A | Six-arm polyethylene glycol derivative, preparation method and modified biologically-relevant substance | 2019-10-23 |
| RS-20181114-A1 | NEW AZO-AZOMETHENIC PAINTS FROM 3-CYANO-6-HYDROXY-4-METHYL-2-PYRIDONE | 2018-09-21 |
| RS-60334-B1 | NEW AZO-AZOMETHENIC PAINTS FROM 3-CYANO-6-HYDROXY-4-METHYL-2-PYRIDONE | 2018-09-21 |
| CN-109096182-A | A kind of preparation method of nevirapine intermediate | 2018-07-23 |
| RS-20180570-A1 | NEW PROCESS OF SYNTHESIS OF 3-CYANO-6-HYDROXY-4-METHYL-2-PYRIDONE | 2018-05-16 |
| RS-61008-B1 | NEW PROCESS OF SYNTHESIS OF 3-CYANO-6-HYDROXY-4-METHYL-2-PYRIDONE | 2018-05-16 |
| CN-110357809-B | Simple preparation method of 4-methylpiperidine-3-one and derivatives thereof | 2018-04-10 |
