Molecule

ID:68198

General Information
Structure
MolImage
Molecular Formula
C₆H₄FNO
Molecular Mass
125.1004632
Exact Mass
125.02769197
Charge
0
InChI
InChI=1S/C6H4FNO/c7-6-1-5(4-9)2-8-3-6/h1-4H
InChIKey
FEPXZFGQVDIXMZ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(C=O)cnc1
Isomeric Smiles
C(=O)c1cc(cnc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6107446
LogD (pH = 7.4)
0.61077726
Log P
0.6107777
Molar Refractivity
30.7015
Polarizability
11.068784
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
CAS 39891-04-8|5-Fluoronicotinaldehyde|5-fluoropyridine-3-carbaldehyde|5-fluoropyridine-3-carbaldehyde|5-Fluoropyridine-3-carboxaldehyde|5-Fluoro-3-formylpyridine|3-Fluoro-5-formylpyridine|3-Fluorop... | Molfinder