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2,4-Dibromo-5-nitropyridine

CAT: 0804-HY-100062-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100062-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2,4-Dibromo-5-nitropyridine is a trisubstituted pyridine derivative used to prepare Rho kinase inhibitors[1].
CAS Number
4487-57-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
99.42
Smiles
O=[N+](C1=CN=C(Br)C=C1Br)[O-]
Molecular Formula
C5H2Br2N2O2
Molecular Weight
281.89
Precautions
H302, H315, H319, H335
References & Citations
[1]Robert A Stavenger, et al. Discovery of aminofurazan-azabenzimidazoles as inhibitors of Rho-kinase with high kinase selectivity and antihypertensive activity. J Med Chem. 2007 Jan 11;50 (1) :2-5.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

2,4-Dibromo-5-nitropyridine
CAS Number4487-57-4
PubChem CID16099850
IUPAC Name2,4-dibromo-5-nitropyridine
Molecular FormulaC5H2Br2N2O2
Molecular Weight281.89
XLogP2.4
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity161
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
InChIKey
RZZGFCFQBVRQSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dibromo-5-nitropyridine
CAS: 4487-57-4
CID: 16099850
Formula: C5H2Br2N2O2
MW: 281.89
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.89
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass281.84625
Monoisotopic Mass279.84830
Topological Polar Surface Area58.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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