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2-Nitropyridine

CAT: 0127-OR16075-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR16075-03Size:25 g
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CAS Number
15009-91-3
MDL Number
MFCD00160414
Purity
98%
Smiles
[O-][N+](=O)c1ccccn1

Chemical Information

2-Nitropyridine
CAS Number15009-91-3
PubChem CID26998
IUPAC Name2-nitropyridine
Molecular FormulaC5H4N2O2
Molecular Weight124.10
XLogP0.5
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity110
SMILES
C1=CC=NC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C5H4N2O2/c8-7(9)5-3-1-2-4-6-5/h1-4H
InChIKey
HLTDBMHJSBSAOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nitropyridine
CAS: 15009-91-3
CID: 26998
Formula: C5H4N2O2
MW: 124.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.10
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass124.027277375
Monoisotopic Mass124.027277375
Topological Polar Surface Area58.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity110
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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Alternative Products

CatalogName
FN176777-012-Nitropyridine
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FC06225-012-Chloro-3-nitropyridine
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