4-Hydroxy-2-nitropyridine - CAS 101654-28-8

Catalog:	BB000583
Product Name:	4-Hydroxy-2-nitropyridine
CAS:	101654-28-8
Synonyms:	2-nitro-1H-pyridin-4-one; 2-nitro-1H-pyridin-4-one

Technical Data

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Computed Properties

IUPAC Name:	2-nitro-1H-pyridin-4-one
Description:	4-Hydroxy-2-nitropyridine (CAS# 101654-28-8) is a useful research chemical.
Molecular Weight:	140.10
Molecular Formula:	C5H4N2O3
Canonical SMILES:	C1=CNC(=CC1=O)[N+](=O)[O-]
InChI:	InChI=1S/C5H4N2O3/c8-4-1-2-6-5(3-4)7(9)10/h1-3H,(H,6,8)
InChI Key:	NJTUZNXKDOUPHP-UHFFFAOYSA-N
Boiling Point:	255.1 °C at 760 mmHg
Density:	1.44 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.21860

Publication Number	Title	Priority Date
AU-2018273020-A1	Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound	20170525
CA-3061301-A1	Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound	20170525
CN-110691783-A	Process for the preparation of heterocyclic derivative compounds, compositions containing them and hydrates of the compounds	20170525
EP-3632917-A1	Method for preparing heterocyclic derivative compound, composition containing same compound, and hydrate of same compound	20170525
KR-20190132693-A	Method for preparing heterocycle derivative compound, composition comprising the compound and hydrate of the compound	20170525

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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:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02219199
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.02219199
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2