5-Fluoro-2-pyrimidinecarbonitrile

• Catalog: OFC38275557
• CAS: 38275-55-7
• Category: Fluorinated Pyrimidines
• Synonyms: 2-Cyano-5-fluoropyrimidine
• Purity: 97%
• MDL Number: MFCD11846243

• IUPAC Name: 5-fluoropyrimidine-2-carbonitrile
• InChI: InChI=1S/C5H2FN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
• InChI Key: GAIUVAWQVCEHIS-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=NC(=N1)C#N)F
• EC Number: 682-429-9

• Molecular Formula: C5H2FN3
• Molecular Weight: 123.09

• XLogP3-AA: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 123.02327524 g/mol
• Monoisotopic Mass: 123.02327524 g/mol
• Topological Polar Surface Area: 49.6Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 130