4-Hydroxy-3-nitropyridine - CAS 5435-54-1

Name: 4-Hydroxy-3-nitropyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028613
Product Name:	4-Hydroxy-3-nitropyridine
CAS:	5435-54-1
Synonyms:	3-nitro-1H-pyridin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-nitro-1H-pyridin-4-one
Description:	4-Hydroxy-3-nitropyridine (CAS# 5435-54-1) is a building block used for the synthesis of various pharmaceutical compounds. It is used for the synthesis of a new series of pyrazolo[1,5-a]pyrimidines, acting as COX-2-selective inhibitors.
Molecular Weight:	140.10
Molecular Formula:	C5H4N2O3
Canonical SMILES:	C1=CNC=C(C1=O)[N+](=O)[O-]
InChI:	InChI=1S/C5H4N2O3/c8-5-1-2-6-3-4(5)7(9)10/h1-3H,(H,6,8)
InChI Key:	YUWOLBZMQDGRFV-UHFFFAOYSA-N
Boiling Point:	480.8 °C at 760 mmHg
Purity:	97.0 %
Density:	1.448 g/cm³
MDL:	MFCD00128874
LogP:	1.21860

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> 20,000 building blocks and intermediates from stock

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Related Functional Groups

Pyridines

[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1261365-99-4]C6H5Cl2NO2
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine
[4926-28-7]C6H6BrN
2-Bromo-4-methylpyridine
[1122-43-6]C7H9NO
3-Hydroxy-2,6-dimethylpyridine

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-112707860-A	Synthesis method of active intermediate 4-chloro-3-nitropyridine	20210302
WO-2020247298-A2	1-pyrazolyl, 5-, 6- disubstituted indazole derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof	20190606
CN-108059205-A	For the up-flow adsorptive reactor of orthophosphates in Adsorption waste water	20171225
CN-109201010-A	A kind of preparation method of the adsorbent material based on modified konjac glucomannan	20170706
CN-108373476-A	A kind of kinase inhibitor and its preparation and application	20170113

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