4-Bromo-3-nitropyridine

CAT: 0127-OR345055-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR345055-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

23056-44-2

MDL Number

MFCD04112576

Purity

95%

Smiles

[O-][N+](=O)c1cnccc1Br

Chemical Information

4-Bromo-3-nitropyridine

CAS Number	23056-44-2
PubChem CID	2762920
IUPAC Name	4-bromo-3-nitropyridine
Molecular Formula	C5H3BrN2O2
Molecular Weight	202.99
XLogP	1.4
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

C1=CN=CC(=C1Br)[N+](=O)[O-]

InChI

InChI=1S/C5H3BrN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H

InChIKey

KVZNAGBWCCVHKG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23056-44-2

CID: 2762920

Formula: C5H3BrN2O2

MW: 202.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.99
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	201.93779
Monoisotopic Mass	201.93779
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR902141-01	3-Bromo-4-hydroxy-5-nitropyridine
OR61614	2-Bromo-4- (cyclopropylamino) -3-nitropyridine
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OR80547-01	3-Bromo-4-methyl-5-nitropyridine