4-Chloro-3-nitro-2-pyridone - CAS 165547-79-5

Catalog:	BB012199
Product Name:	4-Chloro-3-nitro-2-pyridone
CAS:	165547-79-5
Synonyms:	4-chloro-3-nitro-1H-pyridin-2-one; 4-chloro-3-nitro-1H-pyridin-2-one

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-3-nitro-1H-pyridin-2-one
Description:	4-Chloro-3-nitro-2-pyridone (CAS# 165547-79-5) is a useful research chemical.
Molecular Weight:	174.54
Molecular Formula:	C5H3ClN2O3
Canonical SMILES:	C1=CNC(=O)C(=C1Cl)[N+](=O)[O-]
InChI:	InChI=1S/C5H3ClN2O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2H,(H,7,9)
InChI Key:	UKIZCTHOMJXNIX-UHFFFAOYSA-N
Boiling Point:	283.4 °C at 760 mmHg
Density:	1.61 g/cm³
Appearance:	Yellow crystalline powder
MDL:	MFCD03093067
LogP:	1.45970

Publication Number	Title	Priority Date
WO-2020152132-A1	Thiazolopyridine derivatives as adenosine receptor antagonists	20190122
KR-20210116572-A	Thiazolopyridine derivatives as adenosine receptor antagonists	20190122
CN-108498516-A	A kind of pharmaceutical composition and its preparation method and application for treating myocardial damage	20180421
WO-2019141803-A1	C5a receptor modulators	20180119
CN-111615513-A	C5a receptor modulators	20180119

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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:	276
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.9832197
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.9832197
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6