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4-Ethynyl-3-fluoropyridine

CAT: 0127-PC53107-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC53107-01Size:250 mg
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CAS Number
1196156-81-6
Synonyms
(3-Fluoropyridin-4-yl) acetylene
MDL Number
MFCD13189776
Purity
=95%
Smiles
Fc1cnccc1C#C

Chemical Information

4-Ethynyl-3-fluoropyridine
CAS Number1196156-81-6
PubChem CID57416824
IUPAC Name4-ethynyl-3-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=C(C=NC=C1)F
InChI
InChI=1S/C7H4FN/c1-2-6-3-4-9-5-7(6)8/h1,3-5H
InChIKey
KKRSELMJVNTLBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethynyl-3-fluoropyridine
CAS: 1196156-81-6
CID: 57416824
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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