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2-Cyano-4-nitropyridine

CAT: 0127-OR345291-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR345291-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19235-88-2
MDL Number
MFCD00191627
Purity
98%
Smiles
[O-][N+](=O)c1ccnc(c1)C#N

Chemical Information

4-Nitropyridine-2-carbonitrile
CAS Number19235-88-2
PubChem CID568650
IUPAC Name4-nitropyridine-2-carbonitrile
Molecular FormulaC6H3N3O2
Molecular Weight149.11
XLogP0.7
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity202
SMILES
C1=CN=C(C=C1[N+](=O)[O-])C#N
InChI
InChI=1S/C6H3N3O2/c7-4-5-3-6(9(10)11)1-2-8-5/h1-3H
InChIKey
ONDDYTHSSNTDLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitropyridine-2-carbonitrile
CAS: 19235-88-2
CID: 568650
Formula: C6H3N3O2
MW: 149.11
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.11
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass149.022526347
Monoisotopic Mass149.022526347
Topological Polar Surface Area82.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity202
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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