2,4-Dihydroxypyridine - CAS 626-03-9

Catalog:	BB031683
Product Name:	2,4-Dihydroxypyridine
CAS:	626-03-9
Synonyms:	4-hydroxy-1H-pyridin-2-one

Technical Data

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Computed Properties

IUPAC Name:	4-hydroxy-1H-pyridin-2-one
Description:	2,4-Dihydroxypyridine (CAS# 626-03-9) is a compound useful in organic synthesis.
Molecular Weight:	111.10
Molecular Formula:	C5H5NO2
Canonical SMILES:	C1=CNC(=O)C=C1O
InChI:	InChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
InChI Key:	ZEZJPIDPVXJEME-UHFFFAOYSA-N
Boiling Point:	270.9 °C at 760 mmHg
Melting Point:	272-276 °C
Purity:	95 %
Density:	1.379 g/cm³
Appearance:	White to yellow-beige crystals or
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00006273
LogP:	0.49280

Publication Number	Title	Priority Date
CN-113214274-A	Octahydrofuran [2,3-b ] pyridine-4, 6-diol, and preparation method and application thereof	20210512
CN-112225688-A	4-hydroxypyridones compounds, and preparation method and application thereof	20201019
CN-112142963-A	Synthetic method and application of biodegradable high molecular weight polyester	20200923
CN-111321103-A	Escherichia coli mutant strain for high yield of cytidine and method for producing cytidine by fermentation	20200317
CN-111217985-A	Metal coordination self-healing polyurethane elastomer and preparation method thereof	20200303

PMID	Publication Date	Title	Journal
22725102	20120921	Discovery of γ-secretase modulators with a novel activity profile by text-based virtual screening	ACS chemical biology
22608674	20120801	Pyrimidin-2(1H)-ones based inhibitors of Mycobacterium tuberculosis orotate phosphoribosyltransferase	European journal of medicinal chemistry
22412668	20120301	Ethyl (E)-3-hy-droxy-2-[(4-meth-oxy-styr-yl)-carbamo-yl]but-2-enoate	Acta crystallographica. Section E, Structure reports online
20532354	20100801	4-Hydroxy-2-pyridone alkaloids: structures and synthetic approaches	Natural product reports
20064723	20100201	Practical and efficient synthesis of pyrano[3,2-c]pyridone, pyrano[4,3-b]pyran and their hybrids with nucleoside as potential antiviral and antileishmanial agents	Bioorganic & medicinal chemistry letters

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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

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.032028402
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	111.032028402
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4