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2-Ethynyl-4-fluoropyridine

CAT: 0127-PC101963-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC101963-01Size:100 mg
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CAS Number
1379277-37-8
Purity
98%
Smiles
FC1=CC(C#C)=NC=C1

Chemical Information

2-Ethynyl-4-fluoropyridine
CAS Number1379277-37-8
PubChem CID74891425
IUPAC Name2-ethynyl-4-fluoropyridine
Molecular FormulaC7H4FN
Molecular Weight121.11
XLogP1.2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity135
SMILES
C#CC1=NC=CC(=C1)F
InChI
InChI=1S/C7H4FN/c1-2-7-5-6(8)3-4-9-7/h1,3-5H
InChIKey
RZCTZTABYLWGCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethynyl-4-fluoropyridine
CAS: 1379277-37-8
CID: 74891425
Formula: C7H4FN
MW: 121.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.11
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass121.032777294
Monoisotopic Mass121.032777294
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity135
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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