2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile - CAS 5444-02-0
Catalog: |
BB028660 |
Product Name: |
2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile |
CAS: |
5444-02-0 |
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 |
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. |
Molecular Weight: | 150.13 |
Molecular Formula: | C7H6N2O2 |
Canonical 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 |
MDL: | MFCD00023471 |
LogP: | 0.67288 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
CN-112834643-A | Method for measuring 2, 6-dihydroxy-4-methylpyridine and 2, 6-dihydroxy-3-cyano-4-methylpyridine | 20201231 |
CN-111500084-A | Nitrobenzoisothiazole-pyridone dye and preparation method thereof | 20200427 |
CN-112694608-A | Six-arm polyethylene glycol derivative, preparation method and modified biologically-relevant substance | 20191023 |
RS-20181114-A1 | New azo azomethine dyes based on 3-cyano-6-hydroxy-4-methyl-2-pyridone core | 20180921 |
RS-60334-B1 | New azo azomethine dyes based on 3-cyano-6-hydroxy-4-methyl-2-pyridone core | 20180921 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.042927438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 73.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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