3-Nitro-1H-pyridin-4-one - CAS 15590-90-6

Catalog:	BB011183
Product Name:	3-Nitro-1H-pyridin-4-one
CAS:	15590-90-6
Synonyms:	3-nitro-1H-pyridin-4-one; 3-nitro-1H-pyridin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-nitro-1H-pyridin-4-one
Description:	3-Nitro-1H-pyridin-4-one (CAS# 15590-90-6) is a compound useful in organic synthesis.
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:	254.8 °C at 760 mmHg
Density:	1.44 g/cm³
LogP:	0.80630

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

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