5-amino-2-fluoropyridine-3-carbonitrile

• ChemBase ID: 801934
• Molecular Formular: C6H4FN3
• Molecular Mass: 137.1144632
• Monoisotopic Mass: 137.03892536
• SMILES: c1c(c(ncc1N)F)C#N
• Canonical SMILES: N#Cc1cc(N)cnc1F
• InChI: InChI=1S/C6H4FN3/c7-6-4(2-8)1-5(9)3-10-6/h1,3H,9H2
• InChIKey: OTAIRWWEIAXESD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-fluoropyridine-3-carbonitrile
• IUPAC Traditional name: 5-amino-2-fluoropyridine-3-carbonitrile
• Synonyms: 5-AMINO-2-FLUORONICOTINONITRILE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.31937617
• LogD (pH = 7.4): 0.31937623
• Log P: 0.31937623
• Molar Refractivity: 35.5542 cm^3
• Polarizability: 12.152441 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%