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3-Cyano-2-fluoropyridine

CAT: 1266-JH286027Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH286027Size:1 Each
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CAS Number
3939-13-7
UN Code
UN 3276
Hazard Statement
Xi
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C6H3FN2
Molecular Weight
122.1
Product Name Synonym
2-Fluoropyridine-3-carbonitrile
Physical Properties
White crystalline solid
Hazardous Class
6.1
Safety Statements
S26-S36-S37-S39
Density
1.24 g/cm3
Flash Point
89.1oC
RIDADR
UN 3276
Melting Point
27-30oC

Chemical Information

3-Cyano-2-fluoropyridine
CAS Number3939-13-7
PubChem CID2783254
IUPAC Name2-fluoropyridine-3-carbonitrile
Molecular FormulaC6H3FN2
Molecular Weight122.10
XLogP1
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity137
SMILES
C1=CC(=C(N=C1)F)C#N
InChI
InChI=1S/C6H3FN2/c7-6-5(4-8)2-1-3-9-6/h1-3H
InChIKey
USIDQCCXMGJOJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cyano-2-fluoropyridine
CAS: 3939-13-7
CID: 2783254
Formula: C6H3FN2
MW: 122.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.10
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass122.02802627
Monoisotopic Mass122.02802627
Topological Polar Surface Area36.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity137
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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