2-Hydroxy-5-iodopyridine - CAS 13472-79-2

Name: 2-Hydroxy-5-iodopyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008000
Product Name:	2-Hydroxy-5-iodopyridine
CAS:	13472-79-2
Synonyms:	5-iodo-1H-pyridin-2-one

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Computed Properties

IUPAC Name:	5-iodo-1H-pyridin-2-one
Description:	2-Hydroxy-5-iodopyridine (CAS# 13472-79-2) is a useful research chemical.
Molecular Weight:	221.00
Molecular Formula:	C5H4INO
Canonical SMILES:	C1=CC(=O)NC=C1I
InChI:	InChI=1S/C5H4INO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChI Key:	ZDJUNNCVIDKJAN-UHFFFAOYSA-N
Boiling Point:	321.6 °C at 760 mmHg
Melting Point:	192-196 °C
Purity:	95 %
Density:	2.12 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD00234058
LogP:	1.39180

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GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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WO-2019173790-A1	Pyridinone- and pyridazinone-based compounds and medical uses thereof	20180309

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.93376
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.93376
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4