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3,5-Difluoropicolinonitrile

CAT: 0931-TYD-00245-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00245-01Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
298709-29-2
Bioactivity
3,5-Difluoropicolinonitrile is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
C1=C(F)C(=NC=C1F)C#N
Molecular Formula
C6H2F2N2
Molecular Weight
140.0903
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Cyano-3,5-difluoropyridine
CAS Number298709-29-2
PubChem CID2783253
IUPAC Name3,5-difluoropyridine-2-carbonitrile
Molecular FormulaC6H2F2N2
Molecular Weight140.09
XLogP1.1
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity162
SMILES
C1=C(C=NC(=C1F)C#N)F
InChI
InChI=1S/C6H2F2N2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
InChIKey
WLBIFECTHKFYKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyano-3,5-difluoropyridine
CAS: 298709-29-2
CID: 2783253
Formula: C6H2F2N2
MW: 140.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.09
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass140.01860440
Monoisotopic Mass140.01860440
Topological Polar Surface Area36.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity162
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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