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4-Cyanopyridine

CAT: 0572-TRC-C982225-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C982225-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
100-48-1
Synonyms
4-Pyridinecarbonitrile; Isonicotinonitrile (6CI,8CI); 4-Azabenzonitrile; 4-Cyanopyridine; 4-Pyridinenitrile; 4-Pyridyl cyanide; 4-Pyridylcarbonitrile; Isonicotinic acid nitrile; NSC 60681; gamma-Cyanopyridine; Fampridine Impurity 2; Ethionamide Impurity B; Isoniazid Impurity C
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
N#Cc1ccncc1
Molecular Formula
C6 H4 N2
Molecular Weight
104.11
InChI
InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
Additionnal Information
IUPAC name: pyridine-4-carbonitrile
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Cyanopyridine

4-cyanopyridine is a cyanopyridine carrying the cyano group at position 4.

CAS Number100-48-1
PubChem CID7506
IUPAC Namepyridine-4-carbonitrile
Molecular FormulaC6H4N2
Molecular Weight104.11
XLogP0.5
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity105
SMILES
C1=CN=CC=C1C#N
InChI
InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
InChIKey
GPHQHTOMRSGBNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Cyanopyridine
CAS: 100-48-1
CID: 7506
Formula: C6H4N2
MW: 104.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.11
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass104.037448136
Monoisotopic Mass104.037448136
Topological Polar Surface Area36.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity105
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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