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3-Fluoropyridine-2-carboxaldehyde

CAT: 0127-PC9249-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC9249-01Size:5 g
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CAS Number
31224-43-8
Synonyms
3-Fluoro-2-formylpyridine, 3-Fluoropicolinaldehyde
MDL Number
MFCD07781234
Purity
98%
Smiles
Fc1cccnc1C=O

Chemical Information

3-Fluoro-2-pyridinecarboxaldehyde
CAS Number31224-43-8
PubChem CID11344017
IUPAC Name3-fluoropyridine-2-carbaldehyde
Molecular FormulaC6H4FNO
Molecular Weight125.10
XLogP0.7
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
C1=CC(=C(N=C1)C=O)F
InChI
InChI=1S/C6H4FNO/c7-5-2-1-3-8-6(5)4-9/h1-4H
InChIKey
OZIMPUNGBUYCSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoro-2-pyridinecarboxaldehyde
CAS: 31224-43-8
CID: 11344017
Formula: C6H4FNO
MW: 125.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight125.10
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass125.027691913
Monoisotopic Mass125.027691913
Topological Polar Surface Area30 Ų
Heavy Atom Count9
Formal Charge0
Complexity107
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