2,6-Dibromo-3-nitropyridine - CAS 55304-80-8

Catalog:	BB028994
Product Name:	2,6-Dibromo-3-nitropyridine
CAS:	55304-80-8
Synonyms:	2,6-dibromo-3-nitropyridine; 2,6-dibromo-3-nitropyridine

Technical Data

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Computed Properties

IUPAC Name:	2,6-dibromo-3-nitropyridine
Description:	2,6-Dibromo-3-nitropyridine (CAS# 55304-80-8) is a useful reagent for organic synthesis and other chemical processes. It is used as a reagent in the synthesis of amino(carbamoylmethyl) pyridones as factor VIIa inhibitors and anticoagulants.
Molecular Weight:	281.89
Molecular Formula:	C5H2Br2N2O2
Canonical SMILES:	C1=CC(=NC(=C1[N+](=O)[O-])Br)Br
InChI:	InChI=1S/C5H2Br2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChI Key:	FFRFTURYWWFKIC-UHFFFAOYSA-N
Boiling Point:	295.8 °C at 760 mmHg
Density:	2.221 g/cm³
MDL:	MFCD00233995
LogP:	3.03800

Publication Number	Title	Priority Date
WO-2020233592-A1	Heterocyclic compounds, preparation methods and uses thereof	20190521
CN-112585129-A	Heterocyclic compounds, their preparation and use	20190521
US-11091481-B2	Heterocyclic compounds, preparation and methods and uses thereof	20190521
US-2021198255-A1	Heterocyclic compounds, preparation and methods and uses thereof	20190521
WO-2020103815-A1	Glp-1r agonists and uses thereof	20181122

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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:	279.8483
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7