2,3-Dihydroxypyridine - CAS 16867-04-2

Name: 2,3-Dihydroxypyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3-hydroxy-1H-pyridin-2-one
Description:	2,3-Dihydroxypyridine (CAS# 16867-04-2) is a useful synthetic intermediate. It is used to synthesize 2,3-dihydro-8-(boronic acid)-1,4-Dioxino[2,3-b]pyridine (D448690). It can work as an iron chelator. It can also be used to prepare pyridone-based inhibitors Mycobacterium tuberculosis orotate phosphoribosyltransferase.
Molecular Weight:	111.10
Molecular Formula:	C5H5NO2
Canonical SMILES:	C1=CNC(=O)C(=C1)O
InChI:	InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
InChI Key:	GGOZGYRTNQBSSA-UHFFFAOYSA-N
Boiling Point:	387.2 °C at 760 mmHg
Purity:	98 %
Density:	1.379 g/cm³
Appearance:	Khaki to grey or brown crystalline powder
MDL:	MFCD00006271
LogP:	0.49280

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

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PMID	Publication Date	Title	Journal
26884060	20160501	Tiered High-Throughput Screening Approach to Identify Thyroperoxidase Inhibitors Within the ToxCast Phase I and II Chemical Libraries	Toxicological sciences : an official journal of the Society of Toxicology
22528536	20121201	Productive performance and urinary excretion of mimosine metabolites by hair sheep grazing in a silvopastoral system with high densities of Leucaena leucocephala	Tropical animal health and production
22608674	20120801	Pyrimidin-2(1H)-ones based inhibitors of Mycobacterium tuberculosis orotate phosphoribosyltransferase	European journal of medicinal chemistry
22694822	20120801	Copper(II) complexes with antimicrobial drug flumequine: structure and biological evaluation	Journal of inorganic biochemistry
22155077	20120301	Iron mobilization from transferrin by therapeutic iron chelating agents	Biochimica et biophysica acta

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:	0.1