2,4-Dibromo-5-nitropyridine - CAS 4487-57-4

Catalog:	BB025720
Product Name:	2,4-Dibromo-5-nitropyridine
CAS:	4487-57-4
Synonyms:	2,4-dibromo-5-nitropyridine; 2,4-dibromo-5-nitropyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,4-dibromo-5-nitropyridine
Description:	2,4-Dibromo-5-nitropyridine (CAS# 4487-57-4 ) is a useful research chemical.
Molecular Weight:	281.89
Molecular Formula:	C5H2Br2N2O2
Canonical SMILES:	C1=C(C(=CN=C1Br)[N+](=O)[O-])Br
InChI:	InChI=1S/C5H2Br2N2O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H
InChI Key:	RZZGFCFQBVRQSX-UHFFFAOYSA-N
Boiling Point:	292 °C at 760 mmHg
Density:	2.221 g/cm³
LogP:	3.03800

Publication Number	Title	Priority Date
WO-2020132566-A1	Sting pyrazole agonists and uses thereof	20181221
US-2020039979-A1	Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics	20180801
WO-2020028724-A1	Substituted-3h-imidazo[4,5-c]pyridine and 1h-pyrrolo[2,3-c]pyridine series of novel ectonucleotide pyrophosphatase/phosphodiesterase-1 (enpp1) and stimulator for interferon genes (sting) modulators as cancer immunotherapeutics	20180801
CN-112996496-A	substituted-3H-imidazo [4,5-c ] pyridines and 1H-pyrrolo [2,3-c ] pyridines as novel ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) and interferon gene Stimulator (STING) modulators for cancer immunotherapy	20180801
EP-3829561-A1	Substituted-3h-imidazo[4,5-c]pyridine and 1h pyrrolo[2,3-c]pyridine series of novel ectonucleotide pyrophosphatase/phosphodiesterase-1 (enpp1) and stimulator for interferon genes (sting) modulators as cancer immunotherapeutics	20180801

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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
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.84625
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	279.84830
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4